data_1a6x_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 1a6x _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.4 mp -142.84 116.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.1 t -71.29 118.09 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 1.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.39 107.58 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 110.349 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 p -39.98 106.13 0.39 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 1.0 109.955 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.71 8.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 1.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.77 121.03 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 1.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 148' ' ' PHE . 66.3 t -54.73 147.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.67 -126.56 1.86 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 1.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.432 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 85.3 m -127.04 168.37 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.584 ' CE1' HG11 ' A' ' 140' ' ' VAL . 6.6 t80 -136.93 138.9 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 1.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.571 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.5 m-85 -133.23 159.04 41.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 1.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.59 -17.55 11.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 1.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 44.2 p -136.19 155.73 77.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 1.0 110.363 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -11.74 21.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 1.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -164.21 178.74 1.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 1.0 110.033 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.03 -46.66 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 1.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.18 35.57 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 1.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.0 161.69 17.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 167.11 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -99.92 134.39 42.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.576 ' CD1' HG23 ' A' ' 114' ' ' THR . 12.4 m-85 -54.93 -40.37 69.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 1.0 111.065 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 1.8 tt -132.69 113.65 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.16 111.27 20.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 1.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.3 t -40.17 116.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.69 19.46 9.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.55 165.38 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 1.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 150.35 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 1.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.4 m -130.7 137.63 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 1.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.414 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 1.0 OUTLIER -117.0 144.2 44.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 t -40.18 108.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.94 -11.02 8.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 1.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.85 135.61 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.576 HG23 ' CD1' ' A' ' 102' ' ' PHE . 30.0 m -62.06 143.03 57.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 1.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 103' ' ' ILE . 7.4 mt -112.86 -31.43 6.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.91 -172.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 108.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.571 HD13 ' CZ ' ' A' ' 102' ' ' PHE . 12.4 mm -126.09 167.46 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 127' ' ' ILE . 4.2 t -151.81 128.56 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 1.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.432 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.6 tt0 -83.15 128.45 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -168.24 166.56 12.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.107 . . . . 1.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 3.5 ptt? 42.61 45.65 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 tttt 42.1 51.68 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 1.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.14 155.82 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 1.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.4 mtt -72.11 139.85 48.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 1.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -132.11 102.13 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.465 ' HG3' ' CG2' ' A' ' 114' ' ' THR . 8.7 tt0 -70.73 152.96 43.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.466 HD12 ' CG2' ' A' ' 118' ' ' VAL . 2.6 mt -121.83 115.98 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 129' ' ' ALA . 6.7 tt0 -97.2 131.1 44.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 128' ' ' GLU . . . -40.28 133.03 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 1.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.62 12.93 32.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.1 tttp 177.75 103.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 1.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 67.9 p -39.13 143.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 178.25 -178.62 48.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 1.0 110.982 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 40.9 m -112.58 145.57 40.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 1.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.9 p -41.13 160.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -141.9 -49.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.237 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 173.37 138.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 1.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.479 ' CG2' HG23 ' A' ' 153' ' ' VAL . 4.6 mm -100.1 111.89 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -79.68 -46.2 17.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.584 HG11 ' CE1' ' A' ' 91' ' ' PHE . 14.7 p -86.78 152.29 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 172.33 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.2 p -70.86 105.25 3.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 1.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 107.83 -20.17 31.95 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 1.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.423 ' HB3' ' CG2' ' A' ' 140' ' ' VAL . 12.6 tt0 -57.17 139.56 79.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 1.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.62 38.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.793 . . . . 1.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.454 HG13 ' CD2' ' A' ' 152' ' ' LEU . 1.3 m -131.37 161.61 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 6.4 mt-10 -130.15 175.08 9.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.438 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 36.7 t80 -60.49 139.54 57.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.5 OUTLIER 58.17 15.95 3.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 1.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 26.2 tp10 -85.34 135.22 39.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 1.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.95 22.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 1.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 26.1 mt -112.83 -77.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.479 HG23 ' CG2' ' A' ' 138' ' ' ILE . 53.8 t -116.93 149.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 1.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 79.5 t -114.12 122.49 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.469 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.9 mp -107.74 164.34 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.618 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 9.3 m-70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 154' ' ' VAL . 3.5 mm -132.3 117.73 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 1.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 152' ' ' LEU . 93.7 t -87.03 116.53 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 1.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -115.73 123.5 48.45 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.551 1.157 . . . . 1.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.438 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.5 OUTLIER -44.52 103.53 0.34 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 1.0 109.933 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 1.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.7 mtt -154.65 116.06 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.3 t -51.95 138.65 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.47 -120.84 0.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 1.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.2 m -129.79 169.04 15.65 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.497 0.763 . . . . 1.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.5 t80 -140.76 137.47 33.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.557 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 78.4 m-85 -128.83 162.51 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 1.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.457 ' CZ ' HD11 ' A' ' 138' ' ' ILE . 5.6 mmm-85 -111.19 -14.1 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 1.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 77.5 p -129.43 155.48 80.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 1.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.69 9.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.793 . . . . 1.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -141.92 177.2 1.99 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.0 Cg_endo -75.04 -43.42 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 1.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -100.82 52.91 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 1.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.9 144.44 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 1.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 168.18 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 1.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -73.9 133.0 43.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CE1' HG22 ' A' ' 114' ' ' THR . 4.4 m-85 -44.14 -44.32 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.8 mm -134.65 139.69 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 1.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -104.63 115.72 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 110.23 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.4 t -40.47 116.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 1.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.31 25.73 5.43 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.441 1.088 . . . . 1.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -120.33 171.11 8.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.792 . . . . 1.0 110.297 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -108.79 123.58 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.9 m -115.42 136.28 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.388 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -117.81 144.51 45.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.3 109.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 1.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.84 -3.44 6.95 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.508 1.13 . . . . 1.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.16 137.19 42.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 0.805 . . . . 1.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 102' ' ' PHE . 97.3 m -59.43 141.84 53.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 1.0 110.431 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.5 ' CD1' ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -112.58 -33.35 6.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.615 1.197 . . . . 1.0 109.255 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.5 ' SG ' ' CD1' ' A' ' 115' ' ' LEU . 21.1 p 178.39 -172.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 108.33 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 118' ' ' VAL . 5.9 mt -132.7 160.89 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.459 ' CG2' HD12 ' A' ' 127' ' ' ILE . 2.9 t -146.0 133.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -93.52 140.47 29.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 1.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.05 154.02 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.3 mmm 51.09 27.83 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 1.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt 63.6 43.85 5.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 1.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.4 mmt -159.52 150.26 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 124' ' ' MET . 1.8 pmm? -78.03 142.99 37.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 1.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -139.27 104.85 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 1.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -71.37 152.86 42.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.469 ' CG2' HD23 ' A' ' 115' ' ' LEU . 1.4 mt -118.83 116.95 52.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 1.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -95.09 122.75 38.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 1.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.4 133.1 1.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.39 15.17 26.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 1.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.618 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER 178.19 111.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 1.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.8 p -40.6 160.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 1.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -178.51 -173.29 43.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.515 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 2.7 m -138.67 56.3 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 1.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.2 p 50.84 177.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -166.28 -47.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 1.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 170.07 133.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 1.0 109.367 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.457 HD11 ' CZ ' ' A' ' 93' ' ' ARG . 1.0 OUTLIER -97.48 126.03 50.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.471 1.107 . . . . 1.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -44.26 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.256 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.562 HG12 ' CD2' ' A' ' 91' ' ' PHE . 10.8 p -79.37 163.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 109.389 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.0 172.77 6.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 1.0 110.291 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.4 t -82.44 101.86 10.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.36 -21.69 16.77 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.473 1.108 . . . . 1.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.26 150.98 83.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.416 0.715 . . . . 1.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 166.76 28.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 1.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.46 HG13 ' CD2' ' A' ' 152' ' ' LEU . 34.1 m -143.8 158.8 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 0.2 OUTLIER -133.69 163.52 29.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.403 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 35.4 t80 -62.33 135.14 57.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 1.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 7.3 t70 74.49 4.03 4.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.3 tp10 -85.92 136.44 36.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 151.68 39.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 1.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 54.9 mt -120.35 -77.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.46 152.44 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 1.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 69.9 t -111.19 127.41 68.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 1.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.453 ' CG2' ' HA3' ' A' ' 133' ' ' GLY . 4.9 mp -112.69 166.96 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.518 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 3.8 m-70 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.403 HD11 ' N ' ' A' ' 82' ' ' ILE . 4.6 mp -132.06 116.05 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 1.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.9 117.9 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 1.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -105.8 119.36 38.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 1.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.48 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.2 OUTLIER -45.43 103.75 0.36 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 109.993 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 0.44 8.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.778 . . . . 1.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.92 143.85 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 1.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -81.28 138.95 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 1.0 109.245 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.15 -121.16 1.03 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 1.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.7 m -127.66 167.43 16.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 1.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.4 t80 -138.06 135.45 35.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 1.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 72.8 m-85 -129.2 158.32 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.42 -18.34 12.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 1.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 40.5 p -136.7 155.1 76.86 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 1.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.03 19.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 1.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -157.67 178.74 1.58 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.929 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.99 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 1.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.61 27.53 6.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.23 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.15 164.48 11.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 1.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 2.8 mmtp -65.0 167.39 7.88 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -107.04 136.74 46.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CE1' HG22 ' A' ' 114' ' ' THR . 27.9 m-85 -63.92 -37.32 86.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 1.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.46 73.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 16.7 pt-20 -64.61 123.42 19.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 1.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . 53.1 t -40.22 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.23 13.76 24.01 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.499 1.125 . . . . 1.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.18 164.42 13.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 0.795 . . . . 1.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -117.24 170.64 8.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.3 m -149.56 139.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 2.4 t30 -119.69 151.11 39.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.34 109.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.78 -14.27 9.15 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.488 1.118 . . . . 1.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 136.75 32.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.787 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.566 HG22 ' CE1' ' A' ' 102' ' ' PHE . 86.4 m -49.43 174.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 1.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 tp -137.75 -46.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.6 p -178.47 -165.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 1.0 108.306 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.466 HG23 ' CG ' ' A' ' 124' ' ' MET . 3.8 mt -136.07 156.46 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.467 ' CG2' HD12 ' A' ' 127' ' ' ILE . 6.4 t -141.6 131.66 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -92.28 132.54 36.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 1.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.79 147.71 20.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 95.4 mtp 51.78 28.94 5.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 1.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt 64.57 42.0 5.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 1.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.5 ttm -147.56 158.53 44.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.456 1.098 . . . . 1.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.466 ' CG ' HG23 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -98.19 126.14 43.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 1.0 111.07 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -124.39 121.54 35.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.234 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -78.66 153.92 30.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 1.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.467 HD12 ' CG2' ' A' ' 118' ' ' VAL . 3.2 mt -123.34 115.9 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.23 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.84 152.75 21.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 1.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.13 157.06 23.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -135.84 18.62 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.518 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.4 OUTLIER 175.57 96.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 85.4 p -41.84 133.12 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.1 -173.04 39.87 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 1.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m -110.4 -173.98 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.774 . . . . 1.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.6 p -79.4 148.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 1.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -128.08 -48.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 168.56 133.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.415 ' CG1' HG12 ' A' ' 153' ' ' VAL . 1.0 OUTLIER -99.98 113.33 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 1.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -82.41 -44.88 15.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.566 HG12 ' CD2' ' A' ' 91' ' ' PHE . 11.7 p -78.42 140.3 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 1.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.39 150.9 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.3 p -64.05 92.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 1.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 123.05 -9.68 8.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 1.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.38 151.99 83.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 1.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 160.32 40.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 1.0 111.002 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.48 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 6.6 m -140.21 157.97 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 1.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.47 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 0.0 OUTLIER -131.46 155.93 46.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 1.0 110.288 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.518 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 17.6 t80 -62.98 133.99 55.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 1.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.0 t70 83.55 -3.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.354 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.47 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 3.2 mm-40 -89.6 148.24 39.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 1.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.96 42.91 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.52 1.8 . . . . 1.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 146' ' ' VAL . 74.9 mt -122.0 -80.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 1.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.415 HG12 ' CG1' ' A' ' 138' ' ' ILE . 3.8 t -127.11 150.1 32.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 35.7 t -103.21 123.82 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 1.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.5 mp -108.79 163.86 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 1.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 1.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 t60 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.449 HD12 ' CG1' ' A' ' 154' ' ' VAL . 22.6 mm -135.0 115.83 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 1.0 109.365 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 152' ' ' LEU . 84.4 t -82.44 116.56 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -112.35 127.66 56.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HD13 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -46.67 104.52 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.982 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.3 9.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.81 . . . . 1.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.1 ttm -159.69 127.2 4.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.3 t -60.05 139.2 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 1.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.58 -123.15 1.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 1.0 111.042 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.4 m -129.77 167.82 17.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 1.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.8 t80 -137.53 135.64 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 66.9 m-85 -129.37 152.86 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 1.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.464 ' CZ ' HD11 ' A' ' 138' ' ' ILE . 9.1 mmm-85 -101.16 -13.94 17.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 1.0 110.248 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.449 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 53.7 p -130.41 155.54 80.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 1.0 110.418 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -26.55 10.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.567 1.825 . . . . 1.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.11 175.88 2.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 109.992 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.94 -37.35 2.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.567 1.825 . . . . 1.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -108.25 54.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.27 149.67 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 168.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -84.01 132.99 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.567 ' CE1' HG22 ' A' ' 114' ' ' THR . 8.9 m-85 -50.45 -41.77 53.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.68 109.75 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.7 129.28 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.9 t -40.26 116.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.117 . . . . 1.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.22 7.27 21.31 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.438 1.086 . . . . 1.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -111.39 159.38 18.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 1.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -105.93 168.93 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 1.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.2 m -145.18 139.06 22.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 109.33 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -123.2 146.99 47.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 1.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.38 109.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.453 1.095 . . . . 1.0 109.255 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.24 3.63 12.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.51 137.54 46.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.77 . . . . 1.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 102' ' ' PHE . 96.3 m -63.16 141.39 58.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 110.448 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.5 pp -112.71 -32.85 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 109.36 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 12.3 p -178.71 -164.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.463 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.7 mt -139.69 150.64 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 109.228 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.85 132.76 63.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 1.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.93 129.66 46.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -158.01 157.54 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 1.0 109.23 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 mtm 51.72 20.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.4 44.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.37 150.25 23.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.0 mtm -79.06 137.2 37.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 1.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.22 95.38 3.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 1.0 109.241 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -62.07 151.92 34.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 1.0 110.355 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.9 mm -114.2 115.8 50.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.77 125.2 35.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -41.91 133.07 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.601 1.188 . . . . 1.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.19 14.45 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 18.6 tttt -166.61 84.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 1.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' LYS . 53.9 p -39.2 142.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 1.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.16 -173.32 46.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.111 . . . . 1.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 156' ' ' GLU . 3.2 m -117.0 151.74 36.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 0.785 . . . . 1.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.2 p -41.75 161.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.501 1.126 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 137' ' ' ALA . 1.5 tmtm? -148.71 -47.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.329 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 168.46 132.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -102.11 136.57 33.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.55 -48.03 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 91' ' ' PHE . 9.0 p -69.11 167.77 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 1.0 109.352 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -119.57 168.95 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 1.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 t -82.91 87.15 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.07 -5.68 7.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 1.0 110.986 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.37 149.9 69.69 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 1.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.98 41.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 1.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.461 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.6 m -138.64 160.19 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.468 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.2 tt0 -132.44 157.14 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 1.0 110.347 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.522 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 14.6 t80 -63.16 134.56 56.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 83.82 -6.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 48.5 mm-40 -86.02 148.55 48.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 1.0 110.264 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 168.13 25.53 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.453 1.765 . . . . 1.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.461 ' CD2' HG13 ' A' ' 146' ' ' VAL . 61.0 mt -138.32 -80.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 1.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.451 ' CG2' HG22 ' A' ' 138' ' ' ILE . 11.2 t -124.63 142.2 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 1.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 82' ' ' ILE . 45.9 t -100.13 128.93 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 1.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.5 mp -119.32 163.88 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 1.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.478 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 11.6 pt-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 1.0 110.339 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.412 ' NE2' HG21 ' A' ' 83' ' ' VAL . 3.8 t60 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.609 -0.515 . . . . 1.0 109.609 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.424 ' CG1' HG11 ' A' ' 154' ' ' VAL . 8.8 mt -99.43 123.18 51.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.159 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.468 ' CG2' HD11 ' A' ' 115' ' ' LEU . 72.2 t -81.24 122.51 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 1.0 109.287 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -110.58 119.65 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 1.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -39.36 105.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 110.071 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.47 8.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 1.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.449 ' CG ' HG12 ' A' ' 118' ' ' VAL . 16.1 ptp -161.29 135.74 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.9 t -70.73 140.22 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 1.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.61 -118.78 0.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 1.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.3 m -128.39 169.9 13.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.78 . . . . 1.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.564 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.5 t80 -140.84 141.57 34.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.4 m-85 -135.67 154.18 51.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -101.06 -15.85 17.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 1.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 77.0 p -131.38 155.57 81.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -29.34 8.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.779 . . . . 1.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.494 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -141.03 177.79 1.81 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 1.0 109.98 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -43.14 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 1.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.84 52.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 1.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.51 145.29 40.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 1.0 109.377 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -58.05 169.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -84.2 133.02 34.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CE1' HG22 ' A' ' 114' ' ' THR . 9.9 m-85 -49.99 -41.96 48.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 1.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.92 97.59 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 1.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 3.4 mp0 -76.25 122.71 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 1.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . 55.1 t -40.14 115.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.68 28.05 7.67 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 1.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -114.4 171.83 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 1.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 136.6 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.26 135.88 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.429 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.5 p-10 -118.44 143.89 46.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.04 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 1.0 109.36 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.95 -0.99 7.84 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 1.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.74 137.53 44.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 0.757 . . . . 1.0 109.214 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 102' ' ' PHE . 85.0 m -54.07 141.12 29.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.0 110.37 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.468 HD11 ' CG2' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -114.01 -31.79 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.422 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 26.3 p -177.78 -168.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 108.261 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 125' ' ' ASN . 4.9 mt -136.79 146.11 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 1.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.449 HG12 ' CG ' ' A' ' 87' ' ' MET . 16.2 t -124.48 130.15 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 1.0 109.346 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -102.2 139.95 37.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 110.222 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -135.89 -176.13 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 120' ' ' ALA . 2.4 ptp -37.37 94.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 111.057 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 120' ' ' ALA . 13.3 pttt 39.94 57.98 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -159.41 133.94 7.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 1.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.68 123.92 48.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.48 ' O ' ' CG2' ' A' ' 117' ' ' ILE . 8.2 m-80 -127.12 153.92 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -114.19 160.64 18.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 110.289 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.457 ' CG2' HD22 ' A' ' 115' ' ' LEU . 2.3 mm -118.58 117.89 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -95.11 116.11 28.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.14 133.15 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 1.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -113.82 3.88 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 1.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -155.31 89.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 1.0 109.322 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.429 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 77.2 p -39.12 155.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.23 -173.0 45.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.094 . . . . 1.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.506 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 2.1 m -130.13 69.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.597 0.822 . . . . 1.0 110.383 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.6 p 50.57 177.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 1.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -167.81 -43.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.272 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 165.07 133.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.469 ' CG2' HG12 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.58 133.87 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 1.0 109.278 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.07 -44.71 4.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.564 HG12 ' CD2' ' A' ' 91' ' ' PHE . 7.7 p -74.89 158.86 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.05 161.69 15.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.8 p -72.82 95.02 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 116.83 -5.39 18.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.155 . . . . 1.0 111.024 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.61 150.95 76.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 1.0 110.23 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 157.42 42.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.528 1.804 . . . . 1.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.8 m -139.36 157.23 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 1.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -127.99 149.66 50.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 6.9 t80 -60.68 138.18 58.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 1.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 10.6 t70 85.01 -8.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 1.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -92.15 145.74 31.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.91 34.34 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.809 . . . . 1.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 146' ' ' VAL . 18.3 mt -128.47 -75.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 138' ' ' ILE . 6.1 t -128.76 142.68 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.479 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 2.7 t -99.77 124.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.12 157.05 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 1.0 110.387 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.655 ' CE1' ' CD1' ' A' ' 155' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.584 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 15.4 mm -126.14 124.08 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.477 HG21 ' CE1' ' A' ' 81' ' ' HIS . 9.2 t -94.89 118.61 41.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 mtm-85 -109.21 130.08 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 1.0 110.354 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.418 ' N ' HD13 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -50.62 106.55 0.66 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 1.0 110.047 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.79 . . . . 1.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.9 mmm -155.48 128.85 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.404 1.065 . . . . 1.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.8 t -64.84 139.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.273 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.44 -124.5 1.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 1.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.9 m -125.84 170.01 12.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 1.0 110.389 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 140' ' ' VAL . 2.4 t80 -141.47 143.19 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.8 m-85 -136.17 155.41 50.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -101.19 -15.9 17.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 65.3 p -133.48 155.55 80.55 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.11 12.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 1.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -148.68 177.9 1.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.08 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -45.45 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 1.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -98.55 48.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.32 155.2 48.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 166.53 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 1.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -87.21 135.08 33.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 1.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.54 ' CE1' HG22 ' A' ' 114' ' ' THR . 14.8 m-85 -56.17 -40.06 73.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.468 ' CD1' HG13 ' A' ' 109' ' ' VAL . 5.2 mm -129.73 84.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.13 114.23 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.9 t -39.96 117.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 1.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.92 15.69 23.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.381 1.05 . . . . 1.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -113.39 169.95 8.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 0.754 . . . . 1.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 133' ' ' GLY . 0.0 OUTLIER -119.13 154.47 33.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 1.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 103' ' ' ILE . 34.5 m -135.23 146.7 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.229 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.462 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 52.6 t-20 -125.2 148.04 48.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 1.0 109.381 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.7 p -40.35 109.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.21 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.63 -13.08 7.34 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.541 1.151 . . . . 1.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.71 135.95 35.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.54 HG22 ' CE1' ' A' ' 102' ' ' PHE . 87.0 m -48.04 174.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.0 110.393 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 127' ' ' ILE . 5.4 tp -138.08 -46.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 p -176.35 -172.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 1.0 108.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.43 HG13 ' CE2' ' A' ' 102' ' ' PHE . 3.9 mt -129.42 152.1 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.228 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 127' ' ' ILE . 4.3 t -135.36 132.05 52.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.42 142.26 31.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 110.257 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -138.37 -176.19 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 122' ' ' LYS . 2.5 mtt -37.72 93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 39.91 57.64 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 109.237 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.98 150.11 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.427 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -118.41 134.03 55.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 1.0 111.012 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -130.15 151.21 50.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 1.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.34 152.22 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 110.246 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.462 HD12 ' CG2' ' A' ' 118' ' ' VAL . 1.5 mt -115.15 116.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -99.35 133.03 44.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -51.09 140.33 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 1.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -122.82 16.31 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 1.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -174.91 97.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.0 109.33 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.462 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 78.2 p -40.82 142.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 1.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.424 ' O ' ' CD ' ' A' ' 108' ' ' LYS . . . 178.76 178.37 48.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.126 . . . . 1.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.2 154.45 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 1.0 110.351 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.8 p -43.82 165.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.0 109.373 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -150.85 -49.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 174.86 132.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 1.0 109.288 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.473 ' CG2' HG23 ' A' ' 153' ' ' VAL . 2.7 mm -100.67 113.67 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -81.4 -44.22 17.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.573 HG12 ' CE2' ' A' ' 91' ' ' PHE . 9.8 p -79.57 167.21 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -120.81 170.9 9.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 110.328 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.5 t -81.02 95.39 6.8 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.542 1.151 . . . . 1.0 109.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 115.33 -4.91 21.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 1.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.47 150.54 73.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 1.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 160.29 40.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 1.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 152' ' ' LEU . 6.1 m -139.92 156.57 25.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 1.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.47 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 0.4 OUTLIER -128.9 154.2 46.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 1.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 15.0 t80 -62.71 135.2 57.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 10.7 t70 83.71 -6.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 1.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.47 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 37.8 mm-40 -87.74 149.78 46.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 1.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.28 25.2 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.435 1.755 . . . . 1.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 146' ' ' VAL . 54.1 mt -139.2 -79.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 1.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.473 HG23 ' CG2' ' A' ' 138' ' ' ILE . 19.1 t -120.36 139.6 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.584 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 66.3 t -107.79 120.4 59.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.655 ' CD1' ' CE1' ' A' ' 81' ' ' HIS . 1.2 mp -105.85 163.52 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.489 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.36 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.626 -0.509 . . . . 1.0 109.626 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.433 ' CG1' HG12 ' A' ' 154' ' ' VAL . 5.0 mt -90.86 123.91 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.475 1.109 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 81' ' ' HIS . 95.8 t -83.38 135.43 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 1.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -124.33 117.43 24.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 1.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.464 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -41.12 101.05 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.446 1.761 . . . . 1.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.43 115.23 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 1.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 148' ' ' PHE . 19.4 t -52.02 138.37 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 1.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.71 -124.19 1.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 1.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 84.2 m -127.04 170.61 12.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 1.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.4 t80 -140.52 143.36 35.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 110.951 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 69.8 m-85 -137.36 155.79 48.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 1.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -102.31 -15.14 16.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 81.2 p -131.68 155.53 81.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 1.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.66 19.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 1.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.59 168.67 10.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 1.0 110.072 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.31 12.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 1.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.21 34.23 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -119.66 150.49 40.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 1.0 109.24 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 170.47 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -90.01 133.16 34.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CE1' HG22 ' A' ' 114' ' ' THR . 12.7 m-85 -54.2 -40.24 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 1.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 109' ' ' VAL . 20.0 mt -139.35 114.7 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 1.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 4.1 tt0 -93.38 120.05 33.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 1.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 104' ' ' GLU . 92.0 t -40.29 116.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 110.63 22.16 6.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 1.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.69 165.18 22.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 1.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -109.59 168.75 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 103' ' ' ILE . 16.6 m -149.62 148.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 27.6 p30 -121.33 142.23 50.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 1.0 109.267 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.47 109.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.115 . . . . 1.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.63 -3.47 7.06 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.488 1.118 . . . . 1.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.84 137.54 43.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 1.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.568 HG22 ' CE1' ' A' ' 102' ' ' PHE . 97.7 m -56.29 141.65 40.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.571 1.169 . . . . 1.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.466 ' CD2' HG21 ' A' ' 127' ' ' ILE . 2.1 pp -112.79 -32.85 6.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.505 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.75 -167.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.435 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.6 mt -136.73 150.82 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.0 t -133.56 130.06 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -92.97 129.42 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 1.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.92 153.88 26.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 7.1 mmm 47.14 42.11 12.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 1.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 121' ' ' MET . 16.2 pttp 48.9 45.96 22.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 1.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 143.77 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 1.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 124' ' ' MET . 1.0 OUTLIER -73.78 137.41 43.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -135.22 96.25 3.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 1.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -65.59 151.32 46.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.312 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.466 HG21 ' CD2' ' A' ' 115' ' ' LEU . 2.7 mm -119.19 115.84 49.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.103 . . . . 1.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -91.62 126.71 36.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 1.0 110.256 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -41.01 140.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 1.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -121.66 19.54 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 1.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.09 93.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 1.0 109.264 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.1 p -39.9 146.53 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 1.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 171.23 -173.2 44.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 1.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 3.6 m -116.63 170.66 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 1.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.461 ' N ' ' CG2' ' A' ' 134' ' ' THR . 7.3 p -55.61 157.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.495 1.122 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 1.0 OUTLIER -142.21 -47.41 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 1.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 167.35 133.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -102.67 136.08 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -105.67 -47.44 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 1.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 91' ' ' PHE . 10.0 p -85.84 137.97 19.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 1.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.26 178.42 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.1 t -77.96 93.42 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 110.026 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.92 -15.95 6.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.457 1.098 . . . . 1.0 111.029 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.426 ' CB ' HG21 ' A' ' 140' ' ' VAL . 14.9 mt-30 -66.78 148.92 98.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 1.0 110.281 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 169.71 22.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.421 1.748 . . . . 1.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.464 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 28.8 m -147.12 158.22 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 1.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.18 165.79 22.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 29.6 t80 -66.69 125.28 25.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.3 t70 82.01 -3.8 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 1.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.7 144.99 74.13 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 1.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 150.22 37.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 1.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.449 ' CD2' HG13 ' A' ' 146' ' ' VAL . 28.8 mt -123.41 -77.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.1 t -129.42 139.01 52.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 12.3 t -97.65 121.89 48.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -111.48 163.88 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.11 . . . . 1.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 40.0 tt0 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 1.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.468 ' CG1' HG12 ' A' ' 154' ' ' VAL . 2.2 mp -92.46 120.28 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.92 116.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 1.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -109.19 108.26 18.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 1.0 110.271 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.05 104.12 0.34 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 1.0 110.055 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.53 8.74 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 1.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.16 126.84 8.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 1.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 89' ' ' GLY . 58.1 t -61.6 150.55 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 1.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.417 ' N ' HG11 ' A' ' 88' ' ' VAL . . . 152.95 -116.7 0.76 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 1.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.7 m -138.83 165.52 26.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 1.0 110.359 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.1 t80 -134.39 135.79 42.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 1.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.564 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 58.6 m-85 -132.21 146.19 51.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 1.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 19.3 mmm-85 -91.73 -16.07 27.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 69.0 p -136.35 155.34 77.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 110.404 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.464 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.3 Cg_endo -74.96 -11.6 21.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 1.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.89 170.73 6.15 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 1.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -24.87 12.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.424 1.75 . . . . 1.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -111.68 20.33 17.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 1.0 109.291 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' LYS . . . -109.3 148.28 31.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -52.48 -174.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -108.85 134.38 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.536 ' CD1' ' CG2' ' A' ' 114' ' ' THR . 30.5 m-85 -63.39 -36.78 84.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 1.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 29.3 pt -137.08 115.18 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -98.39 113.25 25.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -40.34 116.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.376 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.4 20.19 7.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 1.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.07 159.33 34.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 1.0 110.245 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -101.31 168.13 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.8 m -147.19 144.89 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 1.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.419 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.1 p-10 -134.16 150.99 51.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -40.36 108.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 1.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.56 -25.08 4.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 1.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.41 138.33 31.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.536 ' CG2' ' CD1' ' A' ' 102' ' ' PHE . 86.6 m -59.75 175.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 129' ' ' ALA . 0.3 OUTLIER -135.7 -46.68 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 1.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.568 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.0 p -174.46 -160.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 108.269 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.53 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 8.9 mm -135.49 150.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.8 t -134.4 119.83 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 109.241 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -89.39 127.37 35.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 1.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.55 167.79 7.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 7.0 mtt 52.06 44.61 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 45.06 35.13 1.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 1.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.85 172.26 17.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.64 127.09 53.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.467 ' O ' ' CG2' ' A' ' 117' ' ' ILE . 9.0 m-80 -118.38 154.27 32.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.62 150.49 30.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 1.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.7 mm -113.84 116.06 51.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 1.0 109.327 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -97.59 139.2 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.076 . . . . 1.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.428 ' HB3' ' CD2' ' A' ' 115' ' ' LEU . . . -43.88 133.07 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -121.03 15.47 11.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 1.0 109.357 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 6.9 tttp -176.96 88.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 1.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 81.6 p -39.25 135.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 110.002 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 177.04 -173.22 46.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.549 1.156 . . . . 1.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.0 OUTLIER -109.41 168.22 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 1.0 110.373 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 134' ' ' THR . 10.0 p -63.29 143.54 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 1.0 OUTLIER -119.62 -45.17 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 164.55 133.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 93' ' ' ARG . 1.4 mt -98.69 135.25 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.04 -44.06 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 91' ' ' PHE . 7.2 p -70.36 137.82 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 1.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 144' ' ' GLN . 0.2 OUTLIER -100.81 119.52 38.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 1.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 141' ' ' GLU . 18.6 t -38.74 101.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 1.0 109.968 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.564 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 121.4 -5.08 10.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 1.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 141' ' ' GLU . 0.1 OUTLIER -87.35 151.77 51.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.408 0.71 . . . . 1.0 110.271 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 150.66 38.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 1.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.516 ' CG1' ' CD2' ' A' ' 152' ' ' LEU . 5.4 m -119.02 158.21 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 3.7 mt-10 -134.27 165.06 25.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 22.6 t80 -59.05 138.41 57.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 1.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 55.37 19.14 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 1.0 109.239 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 36.2 tp10 -86.67 135.11 36.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.371 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 142.39 27.9 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.47 1.773 . . . . 1.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.516 ' CD2' ' CG1' ' A' ' 146' ' ' VAL . 70.8 mt -119.23 -80.32 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 1.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 138' ' ' ILE . 8.7 t -117.89 150.28 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 21.3 t -106.85 126.56 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 1.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.0 mp -117.98 161.39 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 4.0 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 1.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.456 HG13 ' CG1' ' A' ' 154' ' ' VAL . 2.4 mp -88.44 118.72 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 1.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.06 123.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.9 mtt85 -105.51 116.29 31.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 1.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.441 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.1 OUTLIER -40.31 100.45 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 1.0 109.985 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 0.42 8.94 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.419 1.747 . . . . 1.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.08 130.64 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.89 145.85 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 1.0 109.29 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.17 -120.92 1.12 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 1.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.5 m -128.86 166.7 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 1.0 110.391 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.595 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 5.8 t80 -136.89 137.01 39.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 110.989 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.576 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 63.9 m-85 -131.89 153.07 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.403 1.064 . . . . 1.0 111.055 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.421 ' NH1' ' HA ' ' A' ' 141' ' ' GLU . 3.3 mtp180 -108.69 -18.58 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 36.9 p -136.78 154.74 76.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 1.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.08 19.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 1.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -159.0 178.66 1.61 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.968 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -75.0 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 1.0 111.037 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -104.06 35.16 2.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 1.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.53 161.1 18.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 1.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -61.4 168.72 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -108.45 135.05 50.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 1.177 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 114' ' ' THR . 26.4 m-85 -61.6 -37.64 84.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 1.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.9 pt -137.07 73.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.75 118.89 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.251 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.1 t -40.5 116.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 1.0 109.252 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.5 12.46 24.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 1.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -112.91 171.09 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.406 0.709 . . . . 1.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 168.22 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 1.0 109.223 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.7 m -146.72 141.11 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -122.82 149.28 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.4 109.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 1.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.03 -16.15 8.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 1.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.28 136.18 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 1.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 102' ' ' PHE . 87.5 m -47.89 174.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 110.441 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 127' ' ' ILE . 6.8 tp -138.58 -46.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -177.87 -167.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 125' ' ' ASN . 3.5 mt -134.95 148.03 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 1.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.413 ' N ' HG21 ' A' ' 117' ' ' ILE . 41.5 t -129.32 128.29 66.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.536 1.148 . . . . 1.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.35 135.2 42.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -133.41 -176.24 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -37.99 93.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 39.88 57.4 2.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.497 1.123 . . . . 1.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -159.26 128.24 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.5 mtt -102.68 121.77 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.465 ' O ' ' CG2' ' A' ' 117' ' ' ILE . 7.9 m-80 -124.54 158.51 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.597 1.186 . . . . 1.0 109.212 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -116.65 167.04 11.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 115' ' ' LEU . 4.4 mm -128.2 115.97 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -95.65 145.15 25.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 1.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.45 134.05 56.69 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.136 . . . . 1.0 109.342 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -116.84 15.31 15.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -174.93 93.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 83.8 p -39.95 137.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.96 -173.27 43.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 1.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.9 m -110.55 -174.33 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.726 . . . . 1.0 110.408 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.4 p -78.65 142.79 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 1.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -121.58 -47.18 2.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 1.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 164.81 133.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.469 HG21 ' CG2' ' A' ' 153' ' ' VAL . 1.6 mt -99.59 117.65 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -87.87 -43.1 12.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.551 HG12 ' CD2' ' A' ' 91' ' ' PHE . 10.8 p -81.62 137.94 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.421 ' HA ' ' NH1' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -89.95 151.78 21.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.9 t -64.88 85.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.576 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 131.67 -5.49 5.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 1.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.1 150.94 69.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.791 . . . . 1.0 110.32 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 158.8 42.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 1.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.473 HG13 ' CD2' ' A' ' 152' ' ' LEU . 2.7 m -138.86 158.69 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 1.0 109.302 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -128.23 159.92 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 110.267 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 22.3 t80 -65.33 130.71 44.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 1.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 18.9 t0 83.2 -5.6 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.22 146.88 52.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 147.42 33.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 1.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.473 ' CD2' HG13 ' A' ' 146' ' ' VAL . 90.0 mt -116.47 -79.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 1.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.469 ' CG2' HG21 ' A' ' 138' ' ' ILE . 11.0 t -124.23 151.87 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 14.9 t -106.37 124.08 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.446 ' O ' ' CD ' ' A' ' 136' ' ' LYS . 1.5 mp -114.01 159.9 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.6 tm-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 110.239 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.9 t60 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.514 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 8.6 mm -137.48 120.86 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 1.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 152' ' ' LEU . 61.2 t -86.98 116.37 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 1.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -105.33 122.36 45.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 1.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.492 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 5.9 t -45.96 105.45 0.47 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 1.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.43 8.9 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 1.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -160.13 134.66 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 1.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.0 t -68.72 139.53 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 109.253 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.18 -122.3 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 1.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.426 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 59.4 m -130.63 169.09 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 0.811 . . . . 1.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.561 ' CE1' HG11 ' A' ' 140' ' ' VAL . 2.6 t80 -138.93 138.39 37.32 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 1.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.487 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 66.6 m-85 -129.6 161.31 30.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.471 ' CZ ' HD11 ' A' ' 138' ' ' ILE . 7.0 mmm-85 -110.76 -14.2 14.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 1.0 110.305 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 46.2 p -134.51 155.4 79.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 1.0 110.437 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.27 9.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 1.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.508 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.92 178.67 1.37 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.05 -41.96 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.465 1.771 . . . . 1.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -99.95 36.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -118.96 154.29 33.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.385 1.053 . . . . 1.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -66.59 166.69 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -88.06 133.59 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 1.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CD1' HG23 ' A' ' 114' ' ' THR . 20.1 m-85 -56.67 -39.13 73.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 1.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.61 93.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.052 . . . . 1.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.28 125.03 28.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.0 110.25 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.8 t -40.26 116.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 1.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.34 13.28 10.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 1.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -122.61 171.15 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 1.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.412 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 1.4 pttt -118.02 178.56 4.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 1.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 108' ' ' LYS . 31.6 m -154.45 144.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 1.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -118.42 171.91 7.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 1.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.94 108.95 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 1.0 109.369 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.15 -8.04 12.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.563 1.165 . . . . 1.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.46 135.55 34.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 0.712 . . . . 1.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.569 HG23 ' CD1' ' A' ' 102' ' ' PHE . 92.0 m -57.88 147.27 29.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 1.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 129' ' ' ALA . 6.5 mt -114.64 -36.45 4.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 1.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.4 p 174.06 -173.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 1.0 108.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.429 HG13 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -127.35 161.61 34.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 1.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.467 ' CG2' HD12 ' A' ' 127' ' ' ILE . 3.0 t -146.27 128.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.426 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.4 tt0 -84.18 132.62 34.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -161.46 151.69 17.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 1.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.493 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 8.2 mmm 47.51 43.16 15.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 1.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 121' ' ' MET . 9.4 pttm 49.08 44.86 23.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.449 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 2.0 mmt -163.0 140.77 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 1.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -68.34 142.68 55.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 1.0 111.058 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 123' ' ' MET . 20.7 m-80 -136.9 103.27 5.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.174 . . . . 1.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.32 157.49 36.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 1.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.467 HD12 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -125.89 117.2 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -90.86 129.28 36.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.437 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . . . -40.45 133.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 1.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.13 14.92 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -174.31 88.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' LYS . 10.3 m -39.17 137.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 1.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.88 -174.71 46.18 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.51 1.131 . . . . 1.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -114.27 168.77 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 0.803 . . . . 1.0 110.393 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.51 ' N ' ' CG2' ' A' ' 134' ' ' THR . 10.7 p -59.14 158.12 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 1.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.458 ' HD3' ' CB ' ' A' ' 156' ' ' GLU . 16.1 tptt -145.22 -46.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 1.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 171.07 132.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 1.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.471 HD11 ' CZ ' ' A' ' 93' ' ' ARG . 0.8 OUTLIER -104.57 128.02 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.86 -46.98 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 1.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 91' ' ' PHE . 13.6 p -79.49 148.13 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.52 169.9 8.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 1.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 18.2 t -77.49 87.51 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.487 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.35 -5.54 7.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.96 150.67 75.35 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.533 0.784 . . . . 1.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.74 41.98 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.537 1.809 . . . . 1.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.492 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 4.0 m -138.45 157.42 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 1.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 5.5 mp0 -131.66 151.08 51.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 1.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.515 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 8.3 t80 -61.32 136.74 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 1.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.8 t70 84.33 -7.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 4.1 mt-10 -92.23 148.95 37.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 1.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 160.8 39.73 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.509 1.794 . . . . 1.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.461 ' CD2' HG13 ' A' ' 146' ' ' VAL . 59.5 mt -127.26 -76.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.439 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 34.7 t -125.72 137.97 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.514 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 38.5 t -96.31 124.66 49.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.8 mp -108.67 164.27 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.498 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.3 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 1.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.485 ' CG ' ' N ' ' A' ' 82' ' ' ILE . 26.2 t60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.586 -0.524 . . . . 1.0 109.586 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.485 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 14.6 mt -141.09 116.53 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 152' ' ' LEU . 39.3 t -71.47 117.81 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 1.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -104.62 109.74 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.068 . . . . 1.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 152' ' ' LEU . 2.2 p -44.57 105.98 0.49 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 0.75 8.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 1.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.18 133.92 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 1.0 111.006 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.7 t -77.44 138.86 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 1.0 109.375 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.99 -123.82 1.25 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 1.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.426 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 21.9 m -122.23 167.93 12.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 1.0 110.433 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.574 ' CD2' HG12 ' A' ' 140' ' ' VAL . 14.4 t80 -137.73 138.5 39.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 1.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.4 m-85 -136.4 147.59 47.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 1.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -107.3 -19.26 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.305 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.473 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 40.5 p -136.86 155.14 76.6 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 1.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -10.94 21.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 1.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.405 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -165.47 172.71 4.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 110.027 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -27.0 10.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 1.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.04 24.3 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.64 161.89 14.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 1.0 109.206 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -59.18 176.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 1.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.473 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -116.33 135.2 54.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.616 ' CD1' ' CG2' ' A' ' 114' ' ' THR . 21.5 m-85 -61.51 -38.07 86.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -128.06 88.78 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.36 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 110.1 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.0 110.272 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.0 t -40.23 117.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 1.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.18 6.09 36.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 1.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 165.12 11.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 1.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.62 169.21 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.5 m -147.26 139.1 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.463 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.7 t-20 -124.31 154.67 39.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.24 108.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 1.0 109.403 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.24 -37.98 2.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 1.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.74 135.15 46.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 0.728 . . . . 1.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.616 ' CG2' ' CD1' ' A' ' 102' ' ' PHE . 94.5 m -53.47 172.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 1.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.6 mt -135.73 -46.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 1.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.516 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 26.8 p -178.13 -160.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 1.0 108.354 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.553 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.5 mt -139.77 154.9 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 127' ' ' ILE . 47.3 t -140.05 129.25 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.426 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 7.1 tt0 -88.19 125.5 34.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -151.17 149.53 29.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 1.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 11.8 mtp 47.39 43.41 15.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 121' ' ' MET . 1.2 ptpp? 49.09 44.78 23.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.421 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 9.4 tpt -158.95 131.37 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.77 139.82 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 123' ' ' MET . 54.6 m-80 -137.14 103.57 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 1.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -68.24 156.7 37.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 118' ' ' VAL . 3.5 mt -123.12 115.85 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 1.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.0 132.79 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.5 132.97 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 1.0 109.338 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -123.99 15.15 9.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.8 tttp -172.37 86.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 1.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.463 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 84.0 p -39.23 130.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 110.036 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -168.97 -172.28 35.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.567 1.167 . . . . 1.0 111.002 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 156' ' ' GLU . 14.2 t -123.01 147.39 46.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 1.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.0 p -41.39 160.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 156' ' ' GLU . 0.5 OUTLIER -150.88 -46.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 1.0 109.369 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.95 133.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.521 ' N ' ' CD1' ' A' ' 138' ' ' ILE . 0.9 OUTLIER -101.66 112.14 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 1.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -82.19 -40.84 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 1.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.574 HG12 ' CD2' ' A' ' 91' ' ' PHE . 11.3 p -84.99 140.81 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.389 1.055 . . . . 1.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.8 163.15 12.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 1.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.31 100.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 1.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 118.24 -25.53 8.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 1.0 111.039 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 151.81 52.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 1.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 169.29 22.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.582 1.833 . . . . 1.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.542 ' CG1' ' CD2' ' A' ' 152' ' ' LEU . 2.0 m -143.02 156.44 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 1.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 1.1 tp10 -138.31 156.84 47.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -59.47 138.23 57.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 1.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.3 t70 72.03 6.27 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 1.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.1 tp10 -93.15 136.51 24.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.81 29.6 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.789 . . . . 1.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.542 ' CD2' ' CG1' ' A' ' 146' ' ' VAL . 33.4 mt -114.63 -79.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.603 1.189 . . . . 1.0 109.329 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.451 ' CG1' HD11 ' A' ' 138' ' ' ILE . 54.6 t -112.64 137.77 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 69.9 t -99.58 124.63 53.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 1.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.3 mm -111.66 163.95 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.494 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.2 tm-20 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 1.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.568 ' CD2' HG23 ' A' ' 155' ' ' ILE . 4.9 p80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.643 -0.502 . . . . 1.0 109.643 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.0 mp -90.73 116.13 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 1.0 109.233 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 152' ' ' LEU . 50.7 t -77.13 117.45 22.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.077 . . . . 1.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -98.5 122.22 41.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 110.363 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 1.4 t -39.05 99.56 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 1.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.14 9.24 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 1.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.45 117.69 3.13 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 1.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.6 t -60.67 140.01 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 1.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.99 -117.35 0.78 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.402 1.064 . . . . 1.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.43 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 88.5 m -129.97 168.4 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 1.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.7 t80 -140.67 139.59 34.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 62.9 m-85 -131.01 162.21 30.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.5 mmm-85 -109.69 -13.73 14.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 1.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.449 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 76.5 p -131.84 155.46 81.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 1.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.83 12.51 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.547 1.814 . . . . 1.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -145.51 174.15 3.69 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 -37.82 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 1.0 111.023 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -105.51 45.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.616 1.198 . . . . 1.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.52 153.73 48.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 1.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 166.65 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -79.43 133.03 36.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 1.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CD1' HG23 ' A' ' 114' ' ' THR . 8.4 m-85 -50.47 -41.85 53.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 1.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.485 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 2.7 pp -132.8 115.07 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.82 116.46 25.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.358 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.5 t -40.74 116.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.85 16.41 9.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 1.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -120.65 171.09 8.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.772 . . . . 1.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 166.43 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 1.0 109.388 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.0 m -143.03 138.49 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 1.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -118.1 143.26 46.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 1.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.492 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.41 109.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.91 -17.42 7.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.51 138.68 31.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 0.771 . . . . 1.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.569 HG23 ' CD1' ' A' ' 102' ' ' PHE . 65.4 m -62.78 144.47 56.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.3 -33.93 5.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.4 p 176.17 -173.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 1.0 108.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 118' ' ' VAL . 4.9 mt -126.58 160.5 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 1.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.416 ' N ' HG21 ' A' ' 117' ' ' ILE . 24.4 t -145.65 125.81 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 1.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.5 tt0 -84.65 130.55 34.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -158.15 152.26 24.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 1.0 109.372 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.85 19.52 2.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.42 39.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.406 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -157.39 150.37 23.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 1.0 110.961 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -73.99 135.01 43.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.407 1.067 . . . . 1.0 110.985 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 123' ' ' MET . 18.2 m-80 -132.84 102.67 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 127' ' ' ILE . 29.8 tt0 -66.48 157.79 31.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.467 ' N ' ' CG ' ' A' ' 126' ' ' GLN . 2.8 mm -122.45 115.73 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -92.57 129.86 38.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.07 . . . . 1.0 110.333 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -45.98 143.6 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -123.64 18.16 9.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 1.0 109.282 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.7 tttm 179.83 94.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.7 p -39.42 149.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 170.65 -172.98 44.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.43 1.082 . . . . 1.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m -109.8 -175.2 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 0.745 . . . . 1.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.8 p -82.38 138.88 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -116.92 -46.51 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 109.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 167.61 140.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 1.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.469 ' CD1' HG12 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -103.55 128.7 56.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.44 ' CD2' HG22 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -99.21 -41.99 7.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 1.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.577 HG12 ' CD2' ' A' ' 91' ' ' PHE . 11.8 p -83.72 150.35 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -103.89 172.73 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 110.281 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 p -81.01 97.34 7.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 1.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 118.51 -14.46 11.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 1.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 150.44 96.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.507 0.769 . . . . 1.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.63 34.97 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 1.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.458 HG13 ' CD2' ' A' ' 152' ' ' LEU . 21.7 m -142.13 158.42 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 1.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 15.3 tt0 -140.62 154.12 46.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 1.0 110.349 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.539 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 1.4 t80 -60.85 137.83 58.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 1.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.95 -8.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.0 109.368 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.97 144.53 30.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.59 42.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 1.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 74.0 mt -124.4 -81.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 1.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 138' ' ' ILE . 3.4 t -121.27 144.17 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.575 1.172 . . . . 1.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 139' ' ' LEU . 49.9 t -104.05 120.55 54.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 1.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.568 HG23 ' CD2' ' A' ' 81' ' ' HIS . 1.6 mp -105.14 163.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 1.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.2 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.566 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.664 -0.495 . . . . 1.0 109.664 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.4 mt -86.5 122.49 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 81' ' ' HIS . 4.7 t -78.66 126.23 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -111.78 117.22 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.454 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 2.7 t -48.34 107.12 0.69 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 1.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.53 8.82 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 1.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.09 153.87 42.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -94.29 139.12 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.08 -113.51 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 1.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.4 m -135.5 166.11 23.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.752 . . . . 1.0 110.384 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CE2' HG12 ' A' ' 140' ' ' VAL . 2.6 t80 -134.28 139.1 45.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.2 m-85 -132.77 159.23 40.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 1.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -115.29 -17.79 11.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.475 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 57.4 p -136.08 155.39 77.62 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 1.0 110.444 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -13.5 21.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 1.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -158.98 178.76 1.57 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 1.0 110.03 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 -48.03 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 1.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -99.87 26.69 6.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.02 159.8 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -60.17 168.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.475 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -106.68 137.36 44.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 1.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CE1' HG22 ' A' ' 114' ' ' THR . 14.0 m-85 -59.91 -39.56 85.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 1.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mm -132.7 100.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.76 112.29 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 1.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.8 t -40.36 116.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 109.348 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.14 8.78 21.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 1.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -114.89 167.07 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 1.0 110.364 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -111.44 160.28 17.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 1.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.2 m -138.18 143.25 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.6 m-80 -125.64 151.17 46.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.5 p -40.08 109.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 1.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.8 -22.47 6.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 1.0 111.044 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.18 134.53 34.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 0.713 . . . . 1.0 109.206 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 102' ' ' PHE . 95.4 m -53.87 172.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.429 ' CD2' HG23 ' A' ' 83' ' ' VAL . 3.7 tp -136.64 -45.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.4 p -178.86 -173.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 108.237 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.455 HD12 ' CE2' ' A' ' 102' ' ' PHE . 2.7 mt -126.39 160.31 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 1.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.43 ' N ' HG21 ' A' ' 117' ' ' ILE . 22.0 t -143.78 122.91 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 1.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.43 129.25 34.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -174.51 170.8 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.7 ptt? 42.39 46.15 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 40.94 51.75 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -177.94 161.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 1.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.14 134.31 35.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 1.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -125.56 102.22 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -72.37 157.71 37.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.49 115.76 44.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 1.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -93.23 144.04 25.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.22 135.56 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.13 15.07 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.98 91.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 1.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 88.1 p -39.28 141.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 109.934 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.76 -173.35 43.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.445 1.09 . . . . 1.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.1 m -113.85 164.89 13.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 1.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.438 ' N ' ' CG2' ' A' ' 134' ' ' THR . 8.2 p -61.98 151.08 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -130.94 -48.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 1.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 163.72 141.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.3 mt -102.0 123.36 55.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 1.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.48 -43.9 7.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.53 HG12 ' CE2' ' A' ' 91' ' ' PHE . 8.0 p -72.45 137.68 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 142' ' ' SER . 3.8 tm-20 -96.06 104.48 16.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 1.0 110.261 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 141' ' ' GLU . 8.5 p -36.65 104.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 110.063 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 122.44 -4.46 10.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.123 . . . . 1.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.409 ' CG ' HG21 ' A' ' 140' ' ' VAL . 5.4 pt20 -97.39 153.25 38.45 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 1.0 110.276 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 138.99 23.93 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 1.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.454 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 1.8 m -119.35 166.42 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 1.0 109.292 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.421 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 27.5 tt0 -135.18 152.65 51.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 1.07 . . . . 1.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 6.7 t80 -61.23 137.3 58.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.5 t70 85.46 -8.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.421 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 4.6 mt-10 -90.04 144.42 31.31 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 110.237 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 165.72 30.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 1.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.448 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 24.0 mt -132.17 -79.48 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 1.0 109.38 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.0 t -115.58 155.54 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 19.4 t -110.03 123.35 65.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.392 1.058 . . . . 1.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.2 mp -113.04 163.81 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.2 mt -139.46 116.11 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 1.0 109.333 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 52.5 t -82.54 120.56 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 1.0 109.217 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 86' ' ' PRO . 68.4 mtp180 -107.15 118.21 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 1.0 110.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.496 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.6 OUTLIER -38.71 99.24 0.19 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 110.014 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -74.98 -1.07 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.799 . . . . 1.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.03 121.27 6.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 1.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.4 143.96 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 1.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.92 -118.32 0.87 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 1.0 111.035 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.0 m -131.49 166.32 21.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 1.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CD2' HG12 ' A' ' 140' ' ' VAL . 3.1 t80 -137.04 134.14 36.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 59.2 m-85 -126.4 161.96 26.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 1.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.5 mmm-85 -110.54 -13.71 14.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 1.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 39.4 p -136.63 155.54 76.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 1.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -10.6 21.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.78 . . . . 1.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.448 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -159.21 175.46 3.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 110.019 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -32.67 5.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 1.0 111.036 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.87 25.47 10.7 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.515 1.134 . . . . 1.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.04 152.56 21.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 1.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -52.6 170.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 1.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.471 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -98.5 133.61 42.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 1.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.669 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 19.8 m-85 -56.93 -39.15 73.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 1.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.1 pt -143.29 124.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -99.35 110.99 23.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 1.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 75.3 t -40.3 116.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.29 28.65 5.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.085 . . . . 1.0 111.054 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.98 171.08 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 1.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -112.87 113.71 25.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.5 m -107.48 142.76 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 1.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.45 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 95.8 m-20 -124.79 147.54 48.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 1.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.24 109.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.572 1.17 . . . . 1.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.41 -16.49 5.15 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 1.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.87 137.59 33.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 1.0 109.243 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 46.7 m -55.3 176.59 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 1.0 110.444 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.2 tp -136.05 -46.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.445 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.2 p -175.9 -173.08 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 1.0 108.284 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.669 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 17.3 mm -124.32 160.82 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 1.0 109.309 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.3 t -143.0 125.62 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -91.09 137.48 32.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -135.91 -176.13 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 122' ' ' LYS . 1.7 mmt -39.64 93.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 40.02 55.22 2.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ptp -160.41 150.85 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.0 mtm -115.32 124.95 52.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 1.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.411 ' ND2' ' N ' ' A' ' 125' ' ' ASN . 1.4 m-80 -115.77 143.58 45.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -110.69 138.86 46.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mm -103.11 116.47 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -102.96 137.32 41.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.04 132.95 55.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -110.17 13.77 23.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 1.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.0 tttt 178.76 112.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.087 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.45 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 58.2 p -39.02 146.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 110.061 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -161.57 -173.16 29.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.18 . . . . 1.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.515 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 6.5 t -142.26 53.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 0.803 . . . . 1.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.1 p 50.71 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -166.78 -47.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 1.0 109.283 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.27 133.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.585 ' CD1' ' CZ ' ' A' ' 93' ' ' ARG . 1.5 mt -100.55 118.73 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -89.84 -36.66 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.369 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.565 HG12 ' CD2' ' A' ' 91' ' ' PHE . 8.8 p -81.42 159.89 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.89 156.01 23.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.62 93.09 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 1.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 120.55 -23.09 8.07 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.536 1.147 . . . . 1.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.61 151.48 83.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.736 . . . . 1.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 158.24 42.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 1.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.496 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 8.7 m -135.8 156.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 1.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -133.08 151.64 52.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 110.261 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.539 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 11.9 t80 -60.2 138.56 57.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 1.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 85.27 -9.13 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 1.0 109.343 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -91.57 141.9 26.3 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 1.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.93 37.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 1.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 146' ' ' VAL . 17.6 mt -124.54 -76.4 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 1.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.452 ' CG2' HG22 ' A' ' 138' ' ' ILE . 4.1 t -129.24 139.56 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.594 1.184 . . . . 1.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 38.6 t -100.53 129.05 51.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 1.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.462 ' CG2' ' HA3' ' A' ' 133' ' ' GLY . 2.4 mp -112.7 167.86 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.0 109.391 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.401 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.2 tt0 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 1.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.505 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CD1' HG12 ' A' ' 154' ' ' VAL . 35.9 mm -91.34 116.02 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 81' ' ' HIS . 70.6 t -79.68 117.37 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.083 . . . . 1.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -119.17 129.23 54.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.459 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.4 OUTLIER -57.78 109.77 2.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 110.012 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.51 8.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.501 1.79 . . . . 1.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.2 126.58 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 1.0 111.034 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 146' ' ' VAL . 19.8 t -49.13 150.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 146' ' ' VAL . . . 161.8 -134.06 3.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 1.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 84.8 m -139.17 126.85 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.767 . . . . 1.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.608 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.7 t80 -90.27 133.83 34.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 1.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 40.8 m-85 -130.0 146.69 51.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.465 ' CZ ' HD13 ' A' ' 138' ' ' ILE . 20.5 mmm-85 -95.64 -13.69 24.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 1.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 27.6 p -135.6 155.45 78.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 1.0 110.381 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -25.66 11.66 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.477 1.777 . . . . 1.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.49 177.59 1.77 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 1.0 109.986 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 -41.35 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 1.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -108.11 54.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.44 161.12 35.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 167.02 10.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 1.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -89.47 133.83 34.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.0 109.371 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.571 ' CD1' HG23 ' A' ' 114' ' ' THR . 14.0 m-85 -53.26 -40.82 64.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 1.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 22.8 pt -140.6 125.66 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 1.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' VAL . 18.7 mm-40 -102.0 119.72 39.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 1.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' GLU . 79.2 t -40.42 116.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 1.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.71 14.93 7.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.414 1.071 . . . . 1.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -125.89 165.55 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 1.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 165.39 11.61 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.48 1.112 . . . . 1.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.15 140.29 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 1.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -117.7 146.22 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.41 109.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.45 -11.88 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 1.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.8 137.81 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.571 HG23 ' CD1' ' A' ' 102' ' ' PHE . 61.8 m -66.34 142.15 57.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 1.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.482 ' CD1' ' SG ' ' A' ' 116' ' ' CYS . 1.3 pp -112.64 -31.99 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 1.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.608 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.1 p -177.39 -170.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 1.0 108.217 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 126' ' ' GLN . 24.9 mm -130.62 156.37 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 1.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.94 117.4 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 1.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -99.18 133.17 43.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 1.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -167.24 155.54 9.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 1.0 109.399 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.3 mtp 49.93 31.61 4.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 1.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 59.21 44.67 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -151.07 153.28 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.5 ttp -92.3 137.31 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 1.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -137.05 92.13 2.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 1.0 109.357 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.453 ' HG3' ' CG2' ' A' ' 114' ' ' THR . 29.6 tt0 -65.96 142.61 57.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 1.0 110.313 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 mm -103.47 115.82 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.21 125.78 41.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.64 133.21 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 109.233 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -115.3 15.08 16.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.2 tmtp? -169.94 88.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.09 . . . . 1.0 109.39 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' LYS . 59.8 p -39.3 138.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.52 -173.05 43.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 1.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 5.5 m -111.59 169.07 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 1.0 110.447 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.428 ' N ' ' CG2' ' A' ' 134' ' ' THR . 9.0 p -63.7 141.74 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -121.93 -45.17 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 1.0 109.379 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 163.76 133.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 1.0 109.239 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.468 HG22 ' CG2' ' A' ' 153' ' ' VAL . 1.4 mt -99.85 133.06 44.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 1.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.95 -44.52 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 1.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' A' ' 91' ' ' PHE . 14.4 p -70.66 144.43 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 1.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 143' ' ' GLY . 1.1 tp10 -103.67 140.58 37.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 1.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.6 p -50.18 92.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 1.0 109.975 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 132.26 -24.49 3.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 1.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 148.0 54.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 1.0 110.265 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.09 21.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 1.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 85' ' ' SER . 2.4 m -138.83 159.11 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.405 ' HA ' ' CG2' ' A' ' 88' ' ' VAL . 4.1 tt0 -138.94 173.13 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 15.0 t80 -69.08 114.42 7.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 1.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.31 11.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 1.0 109.319 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.27 145.7 56.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 159.04 41.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.563 1.823 . . . . 1.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 90.0 mt -136.48 -80.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.468 ' CG2' HG22 ' A' ' 138' ' ' ILE . 22.0 t -126.58 154.48 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 82' ' ' ILE . 72.9 t -107.75 122.3 61.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 1.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -115.99 163.77 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.435 1.084 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 11.7 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.447 ' ND1' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 154' ' ' VAL . 4.0 mm -82.64 123.8 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 1.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 152' ' ' LEU . 59.6 t -87.77 116.38 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 1.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -106.71 123.24 47.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.469 ' CB ' HD12 ' A' ' 152' ' ' LEU . 4.3 t -55.21 108.69 1.24 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.28 9.13 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.504 1.791 . . . . 1.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 ttp -142.07 154.3 44.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.6 138.79 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.81 -113.76 0.58 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 1.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -136.7 161.5 35.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.382 0.696 . . . . 1.0 110.449 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 140' ' ' VAL . 3.1 t80 -128.18 136.9 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 1.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 50.8 m-85 -132.08 159.7 38.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 1.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.76 -17.59 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 1.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 75.4 p -135.27 155.29 78.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -10.41 21.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 1.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -163.6 178.79 1.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 110.039 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -50.54 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.557 1.82 . . . . 1.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.46 31.84 2.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 1.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -111.51 154.71 24.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 1.0 109.215 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.87 169.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.471 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -106.49 137.61 44.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 1.0 109.292 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD2' HD13 ' A' ' 117' ' ' ILE . 10.7 m-85 -57.9 -40.57 80.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 1.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.408 ' CD1' ' CG1' ' A' ' 109' ' ' VAL . 1.1 tp -132.53 103.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.176 . . . . 1.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -82.34 112.96 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 1.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.1 t -40.06 116.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.78 11.13 17.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 1.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -117.49 167.32 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 1.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 15.2 tttp -111.22 165.02 12.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 1.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.446 ' N ' ' CG ' ' A' ' 108' ' ' LYS . 28.1 m -143.83 142.83 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.458 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 15.8 m-80 -120.94 148.62 43.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.5 p -39.8 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 1.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.48 -19.29 6.32 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.565 1.166 . . . . 1.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.86 135.25 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 0.741 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 102' ' ' PHE . 94.1 m -52.92 172.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.47 1.106 . . . . 1.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 129' ' ' ALA . 0.1 OUTLIER -137.51 -45.43 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 1.0 109.353 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 p -174.09 -172.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 108.272 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.572 HD13 ' CD2' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -126.23 157.92 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 1.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 76.8 t -138.48 116.71 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 1.0 109.26 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.47 126.13 35.45 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 1.0 110.244 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -122.69 -175.88 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 1.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -47.29 91.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 1.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 45.91 41.03 7.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 1.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.413 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -146.17 106.77 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 1.0 111.029 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 ttp -80.72 127.98 33.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 1.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.426 ' O ' ' CG2' ' A' ' 117' ' ' ILE . 3.0 m-80 -126.77 157.57 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -124.76 156.34 37.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 1.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 115' ' ' LEU . 6.8 mm -115.82 116.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 1.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -103.17 126.56 50.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 1.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.46 ' HB3' ' CD2' ' A' ' 115' ' ' LEU . . . -42.12 133.03 3.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 1.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -116.16 12.34 15.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 1.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 4.0 tttt -169.44 93.49 0.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 1.0 109.244 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 72.1 p -38.76 136.7 0.71 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.554 1.159 . . . . 1.0 109.99 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.23 -172.6 41.12 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.536 1.147 . . . . 1.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.8 m -113.22 167.01 10.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.795 . . . . 1.0 110.451 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' A' ' 134' ' ' THR . 9.4 p -63.22 147.34 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -124.98 -48.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 1.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 164.17 134.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.235 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.42 126.1 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 1.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.454 ' CD2' HG21 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -99.49 -42.83 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 91' ' ' PHE . 11.7 p -74.93 137.87 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 1.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 1.2 mt-10 -95.53 104.55 16.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' GLU . 6.5 t -37.6 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 1.0 110.062 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.92 -5.32 6.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 1.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.415 ' NE2' ' H ' ' A' ' 141' ' ' GLU . 1.5 pt20 -97.24 152.4 38.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 1.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 139.33 24.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.584 1.834 . . . . 1.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.464 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 1.1 m -120.54 165.78 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 1.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.46 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.1 mt-10 -133.65 155.46 49.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 1.0 110.373 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 10.3 t80 -61.33 136.88 58.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 110.971 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 83.98 -6.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 1.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.46 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 47.6 mm-40 -87.92 148.44 43.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 110.239 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 169.0 23.57 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 1.0 111.013 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.484 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 28.0 mt -137.56 -81.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.62 160.93 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 1.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 39.4 t -115.75 122.18 68.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 1.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.2 mp -113.13 163.83 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.498 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 20.5 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.447 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.4 mt -90.2 117.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.447 HG21 ' CE1' ' A' ' 81' ' ' HIS . 27.0 t -66.76 118.21 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.553 1.158 . . . . 1.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -105.88 107.21 18.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 1.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.27 106.51 0.46 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 110.027 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 0.46 8.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 1.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.77 156.37 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 1.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 147' ' ' GLU . 2.8 t -97.57 140.42 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.96 -117.16 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.417 1.073 . . . . 1.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.4 m -131.56 168.28 17.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 1.0 110.464 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.597 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 2.7 t80 -137.37 136.85 38.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 1.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 67.4 m-85 -129.97 151.3 50.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 1.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.476 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 21.6 mmm-85 -97.48 -17.09 19.84 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.097 . . . . 1.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 41.3 p -134.46 155.45 79.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.476 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.2 Cg_endo -75.07 -28.31 9.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.59 1.837 . . . . 1.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.92 178.71 1.37 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 1.0 110.008 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -74.99 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.466 1.772 . . . . 1.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.66 50.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 1.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.71 158.32 42.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 1.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -67.1 171.7 5.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.13 . . . . 1.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -93.85 133.49 37.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 1.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.598 ' CD1' ' CG2' ' A' ' 114' ' ' THR . 25.6 m-85 -58.85 -38.18 78.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 15.8 pt -132.11 91.64 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.06 113.3 14.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.359 1.037 . . . . 1.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.1 116.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.09 11.12 22.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.453 1.096 . . . . 1.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.48 164.63 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.379 0.693 . . . . 1.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.485 ' C ' ' CD ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -112.34 153.95 26.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 23.2 m -129.76 131.11 66.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.403 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 19.0 t-20 -116.18 152.52 33.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.31 108.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 1.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.5 -17.57 8.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.161 . . . . 1.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.71 135.5 33.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 0.805 . . . . 1.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.598 ' CG2' ' CD1' ' A' ' 102' ' ' PHE . 88.8 m -56.26 174.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 tp -136.18 -46.9 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.597 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -178.59 -159.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 1.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.57 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.2 mt -138.59 155.7 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 1.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.415 ' N ' HG21 ' A' ' 117' ' ' ILE . 37.2 t -141.18 124.36 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 1.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -83.24 128.54 34.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.17 155.08 26.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 1.0 109.253 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.4 mmm 47.13 42.47 13.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 1.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 121' ' ' MET . 9.6 ptpp? 48.82 45.73 22.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 1.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.64 144.45 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 1.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.3 mtm -74.55 134.25 42.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 1.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -129.7 103.1 6.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -68.39 155.71 39.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.7 mm -121.18 115.78 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 1.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -93.67 140.56 29.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 1.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.73 133.02 37.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.95 14.42 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -177.25 95.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.403 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.1 p -39.21 129.92 1.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.41 -172.19 26.22 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.423 1.077 . . . . 1.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.4 m -126.74 151.97 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 0.716 . . . . 1.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.462 ' HA ' ' CD1' ' A' ' 155' ' ' ILE . 13.0 p -50.72 137.88 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.505 ' CD ' ' CB ' ' A' ' 156' ' ' GLU . 0.0 OUTLIER -125.04 -41.49 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 163.65 132.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 1.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.476 ' CD1' ' CZ ' ' A' ' 93' ' ' ARG . 1.3 mt -98.76 133.64 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.88 -46.13 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.564 HG12 ' CD2' ' A' ' 91' ' ' PHE . 14.1 p -71.73 163.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 1.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.4 169.71 8.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 1.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.6 t -83.24 87.81 6.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 1.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 124.84 -5.52 8.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 1.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -80.25 149.82 69.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.429 0.723 . . . . 1.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 156.99 42.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.41 1.742 . . . . 1.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.83 162.23 28.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.308 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.469 ' HA ' ' CG1' ' A' ' 88' ' ' VAL . 9.3 pt-20 -137.89 155.79 48.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.475 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 20.5 t80 -57.47 139.52 53.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 11.9 t0 81.26 -2.53 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 109.345 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 7.2 tm-20 -92.74 137.03 24.33 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 1.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.97 42.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.462 1.77 . . . . 1.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 64.1 mt -119.93 -80.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 1.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' A' ' 138' ' ' ILE . 40.4 t -117.24 137.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.83 122.76 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 1.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.472 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 15.7 mm -114.91 163.95 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 109.19 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.505 ' CB ' ' CD ' ' A' ' 136' ' ' LYS . 3.2 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 1.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.8 t60 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.58 116.18 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 1.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.2 t -83.01 119.98 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 1.0 109.239 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -111.79 128.1 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 1.0 110.231 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.459 ' HB3' ' CG2' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -50.2 106.36 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.056 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.4 8.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 1.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.6 ptp -166.45 134.48 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 1.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.46 HG23 ' CG ' ' A' ' 147' ' ' GLU . 25.8 t -62.3 138.04 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.75 -145.99 9.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 1.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 23.6 m -121.09 121.16 37.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 1.0 110.344 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.607 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 10.1 t80 -85.97 132.22 34.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 48.5 m-85 -128.84 142.91 50.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.069 . . . . 1.0 110.997 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -92.8 -15.71 26.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 1.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 66.5 p -132.04 155.46 81.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 110.405 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -29.3 8.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 1.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -142.65 178.67 1.41 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 1.0 109.966 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.12 -48.31 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 1.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -95.71 43.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 1.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.51 148.74 49.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 1.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.34 169.61 2.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 1.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -87.48 133.28 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 1.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CE1' HG22 ' A' ' 114' ' ' THR . 10.0 m-85 -52.5 -41.12 63.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 pp -141.69 108.59 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 1.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -87.53 126.64 35.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 1.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 56.1 t -40.29 116.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.03 9.1 13.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 1.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -115.42 168.08 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 1.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.81 175.58 5.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 1.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.74 142.64 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 1.0 109.245 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -125.93 148.16 49.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.42 108.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.59 2.85 12.93 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.115 . . . . 1.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.1 136.47 47.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 1.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.568 HG22 ' CE1' ' A' ' 102' ' ' PHE . 87.2 m -62.71 141.38 58.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.73 -32.92 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 1.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.607 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 30.0 p -179.98 -165.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 108.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.467 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 3.9 mt -138.92 155.76 27.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.4 ' N ' HG21 ' A' ' 117' ' ' ILE . 59.4 t -135.48 122.98 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -96.44 122.22 39.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 1.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -165.36 171.77 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 15.5 ptm 42.54 45.93 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 1.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 41.61 51.64 3.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 1.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.15 155.38 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 1.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.6 mtm -83.47 144.58 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 1.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -139.42 93.06 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 1.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -64.15 157.17 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 1.0 110.259 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.5 mm -117.3 115.99 50.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 1.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.32 126.15 42.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 1.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.44 133.15 1.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 1.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.69 15.95 14.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 1.0 109.208 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 7.9 tttm -174.28 89.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' LYS . 82.8 p -39.4 138.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 1.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 178.12 -175.12 47.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 1.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.4 160.27 18.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 0.781 . . . . 1.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.0 p -50.79 161.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 1.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -146.72 -48.11 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.61 133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.47 ' CG2' HG12 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -105.87 121.9 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -91.09 -40.37 11.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 1.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 91' ' ' PHE . 9.4 p -87.05 139.42 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 1.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.28 149.33 24.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.2 p -49.25 99.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 1.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 123.85 -35.56 3.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 1.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.64 134.9 45.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 1.0 110.364 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 157.78 42.63 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.528 1.804 . . . . 1.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.0 m -136.95 157.89 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 1.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.477 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 1.9 tt0 -127.54 167.95 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 110.25 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 21.3 t80 -65.22 128.41 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 84.31 3.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.477 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 57.4 mm-40 -89.03 151.15 46.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 1.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 161.56 38.68 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.486 1.782 . . . . 1.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 146' ' ' VAL . 67.6 mt -129.84 -81.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.47 HG12 ' CG2' ' A' ' 138' ' ' ILE . 12.5 t -134.38 144.28 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 1.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 67.1 t -97.58 122.97 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -107.8 163.73 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 13.1 pt-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 1.0 110.26 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 81' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.8 mp -102.49 116.33 45.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 1.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 152' ' ' LEU . 21.9 t -73.73 118.39 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 1.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -105.81 123.74 48.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.451 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.1 OUTLIER -43.29 102.5 0.28 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 1.0 109.951 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.5 8.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 1.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 mtp -163.02 126.36 2.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.9 t -59.98 139.22 19.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.37 -125.67 1.47 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.458 1.099 . . . . 1.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 87.4 m -126.76 167.42 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 1.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 140' ' ' VAL . 2.9 t80 -139.95 137.68 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.512 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 57.7 m-85 -129.15 157.86 40.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 111.021 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -106.16 -13.65 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 1.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 43.5 p -135.39 155.67 78.43 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 1.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.05 20.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 1.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.465 ' CB ' ' HB1' ' A' ' 99' ' ' ALA . 0.2 OUTLIER -158.3 172.8 5.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 110.033 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.04 -32.95 4.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 1.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -113.79 23.18 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.465 ' HB1' ' CB ' ' A' ' 96' ' ' SER . . . -101.84 158.8 15.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 1.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 173.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -93.51 133.08 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.659 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 16.1 m-85 -54.12 -39.64 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.413 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -136.44 117.37 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 1.0 109.386 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 1.4 mt-10 -91.24 110.92 22.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 1.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' GLU . 96.3 t -40.3 116.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.96 29.81 5.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 1.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -120.86 171.09 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.77 . . . . 1.0 110.35 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.0 127.21 53.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.1 m -124.6 144.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.462 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 6.8 m120 -127.14 147.78 50.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 131' ' ' LYS . 3.2 t -40.17 108.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 1.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.67 -15.62 5.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.412 1.07 . . . . 1.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.91 134.05 34.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 1.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.498 ' CG2' ' CG ' ' A' ' 126' ' ' GLN . 11.3 m -57.46 144.58 36.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 1.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.468 ' CD2' HD12 ' A' ' 155' ' ' ILE . 2.7 mt -111.76 -30.43 7.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 p 176.47 -172.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.659 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 16.9 mm -126.96 159.47 36.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 127' ' ' ILE . 2.9 t -142.58 128.56 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.097 . . . . 1.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.452 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.5 tt0 -92.18 140.99 29.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 1.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -138.23 -175.96 4.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.7 mmm -43.19 92.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 120' ' ' ALA . 2.9 mtmp? 40.15 48.51 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.3 ttp -157.12 124.43 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 1.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.3 ttm -88.35 136.91 32.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.486 ' N ' HD21 ' A' ' 125' ' ' ASN . 0.9 OUTLIER -128.53 146.37 50.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.498 ' CG ' ' CG2' ' A' ' 114' ' ' THR . 0.3 OUTLIER -117.81 139.3 51.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' A' ' 118' ' ' VAL . 1.0 OUTLIER -104.04 117.6 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' ALA . 1.2 pm0 -102.47 126.34 49.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' GLU . . . -40.23 132.93 1.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 1.0 109.37 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.91 11.32 30.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.411 ' N ' HG21 ' A' ' 111' ' ' VAL . 18.4 ttmt -176.49 106.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.138 . . . . 1.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.462 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 53.6 p -39.1 152.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 109.943 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.32 -173.27 40.94 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.532 1.145 . . . . 1.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.517 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 3.5 m -133.56 59.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 1.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.7 p 50.67 177.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.468 ' HD3' ' CG ' ' A' ' 156' ' ' GLU . 1.0 OUTLIER -165.3 -50.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 109.364 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 171.61 136.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.45 ' CG2' HG23 ' A' ' 153' ' ' VAL . 1.7 mm -98.97 138.76 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -106.23 -47.68 3.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 1.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.574 HG12 ' CE2' ' A' ' 91' ' ' PHE . 7.5 p -72.41 168.41 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.409 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 1.3 tp10 -117.98 160.96 20.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 1.0 110.244 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.4 t -74.63 102.81 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.512 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 105.98 -5.77 39.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 1.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.32 150.07 76.53 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 1.0 110.35 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 159.27 41.74 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.517 1.799 . . . . 1.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.459 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.2 m -139.37 157.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 1.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.464 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 1.8 mt-10 -130.34 155.51 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 14.5 t80 -62.45 135.6 57.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 9.2 t70 83.63 -6.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.464 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 29.9 mm-40 -87.6 149.24 45.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.43 40.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.422 1.748 . . . . 1.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 146' ' ' VAL . 82.4 mt -132.51 -81.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.573 1.17 . . . . 1.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.45 HG23 ' CG2' ' A' ' 138' ' ' ILE . 55.5 t -119.6 150.61 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.465 HG21 ' CD2' ' A' ' 139' ' ' LEU . 43.6 t -116.59 131.3 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 109.361 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 24.9 mt -124.97 164.24 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.3 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 t60 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.429 HD12 ' CG1' ' A' ' 154' ' ' VAL . 6.2 mm -132.15 115.79 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 1.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 152' ' ' LEU . 57.8 t -81.14 116.42 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 1.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -105.11 125.09 50.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.426 1.078 . . . . 1.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -45.46 105.88 0.5 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 1.0 110.05 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.6 8.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 1.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.05 132.84 5.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.9 t -66.5 140.3 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.29 -122.69 1.18 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 1.0 111.065 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.422 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 98.7 m -129.14 169.0 15.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 1.0 110.385 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.581 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.7 t80 -139.61 135.62 33.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 69.0 m-85 -128.42 159.73 34.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.457 ' CZ ' HD13 ' A' ' 138' ' ' ILE . 5.0 mmm-85 -109.2 -14.23 14.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 1.0 110.333 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 63.2 p -132.99 155.42 81.16 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 1.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -28.69 8.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.577 1.83 . . . . 1.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -144.58 178.65 1.38 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 1.0 110.018 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.96 -50.86 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.459 1.768 . . . . 1.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -93.92 45.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.86 165.8 18.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 1.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -75.79 169.05 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 1.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -89.87 133.13 34.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 1.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CE1' HG22 ' A' ' 114' ' ' THR . 13.4 m-85 -54.83 -39.95 69.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.446 1.091 . . . . 1.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.8 tt -140.31 100.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.5 OUTLIER -85.79 125.91 33.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' GLU . 54.4 t -39.7 116.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 108.69 22.87 6.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.59 1.181 . . . . 1.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.8 164.55 21.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 0.818 . . . . 1.0 110.271 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 55.7 tttm -113.8 167.93 10.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 108' ' ' LYS . 34.7 m -148.21 148.99 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 1.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.2 m-80 -127.45 146.65 50.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.45 1.094 . . . . 1.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.1 t -39.91 108.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 1.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.25 -16.18 7.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.424 1.078 . . . . 1.0 111.048 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.54 138.11 31.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 0.795 . . . . 1.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 102' ' ' PHE . 90.5 m -58.61 141.69 51.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 1.0 110.442 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.497 ' CD1' ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -112.64 -32.64 6.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 115' ' ' LEU . 19.8 p 176.82 -170.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 1.0 108.357 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.447 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.5 mt -133.3 156.82 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.452 ' CG2' HD13 ' A' ' 127' ' ' ILE . 3.4 t -137.99 133.55 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.422 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.4 tt0 -95.25 131.09 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 1.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -169.85 167.09 9.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 1.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.2 ptp 42.51 45.47 3.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 1.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.36 51.68 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.47 154.55 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 111.028 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 mtt -78.0 144.78 36.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 110.964 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.4 97.19 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -69.72 155.12 41.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.453 ' CG2' HD22 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -117.69 117.67 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 1.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -93.68 114.59 26.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.04 133.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -122.31 11.77 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 132' ' ' SER . 2.2 tttt -154.54 83.11 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 1.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 56.0 p -38.84 137.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.94 -175.3 46.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 1.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.9 m -114.64 169.34 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 1.0 110.385 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.47 ' N ' ' CG2' ' A' ' 134' ' ' THR . 8.1 p -62.19 159.29 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.463 ' CE ' HG13 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -145.48 -47.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.365 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 169.91 132.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 1.0 109.271 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.457 HD13 ' CZ ' ' A' ' 93' ' ' ARG . 0.6 OUTLIER -101.24 132.0 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -100.17 -46.63 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.581 HG12 ' CD2' ' A' ' 91' ' ' PHE . 7.1 p -76.88 153.39 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.17 167.9 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 1.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.0 t -79.87 88.56 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.393 1.058 . . . . 1.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.81 -5.49 7.94 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.575 1.172 . . . . 1.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.43 150.94 71.42 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.505 0.768 . . . . 1.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.44 42.18 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 1.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.44 158.17 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 1.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.459 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 3.3 mt-10 -131.91 150.51 52.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 8.4 t80 -61.41 136.77 58.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 1.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.8 t70 84.77 -7.65 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.9 mt-10 -91.43 149.24 39.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 163.21 35.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.539 1.81 . . . . 1.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 69.0 mt -132.1 -80.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.419 ' CG2' HG22 ' A' ' 138' ' ' ILE . 23.1 t -120.22 149.01 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.463 HG13 ' CE ' ' A' ' 136' ' ' LYS . 19.1 t -105.23 119.78 54.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.6 mp -103.1 163.93 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 1.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.479 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.453 HG13 ' CG1' ' A' ' 154' ' ' VAL . 4.3 mp -90.98 120.89 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 1.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.479 HG21 ' CE1' ' A' ' 81' ' ' HIS . 97.6 t -74.66 121.83 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -100.8 115.64 30.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 1.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.458 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.4 OUTLIER -40.6 100.7 0.22 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 1.0 110.03 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 1.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.9 ttt -150.8 123.98 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 1.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 147' ' ' GLU . 3.4 t -70.75 140.05 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.62 -118.59 0.87 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.429 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 69.4 m -124.84 167.84 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 1.0 110.389 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 140' ' ' VAL . 2.9 t80 -140.9 135.7 31.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 1.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.517 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.4 m-85 -127.52 155.28 44.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -103.04 -13.45 16.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 1.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 73.0 p -130.22 155.54 80.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 1.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -23.21 13.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 1.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.479 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -149.14 176.87 2.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.995 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 1.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.55 35.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.23 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.35 146.79 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 1.0 109.354 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -63.91 167.44 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 1.0 109.28 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.465 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -77.4 132.89 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.558 ' CD1' HG23 ' A' ' 114' ' ' THR . 7.4 m-85 -47.87 -42.91 27.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.181 . . . . 1.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 3.1 mp -138.21 120.51 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 9.9 tp10 -86.57 117.22 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 1.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 138' ' ' ILE . 77.0 t -39.74 116.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.4 5.35 16.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 1.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -112.62 171.11 7.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 1.0 110.287 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.43 165.36 12.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 1.0 109.256 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.1 137.87 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.434 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 2.3 t-20 -119.6 150.88 39.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.27 109.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.4 -19.82 6.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 1.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.05 136.01 33.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 0.798 . . . . 1.0 109.369 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.558 HG23 ' CD1' ' A' ' 102' ' ' PHE . 88.8 m -60.95 155.27 20.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 1.0 110.419 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 103' ' ' ILE . 2.9 tp -120.02 -41.12 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.418 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.4 p 176.97 -173.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 118' ' ' VAL . 27.2 mt -128.2 158.28 40.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 1.0 109.234 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.469 ' CG2' HD12 ' A' ' 127' ' ' ILE . 25.5 t -139.62 132.27 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.429 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.0 tt0 -93.89 130.7 39.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 1.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.96 150.09 27.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 1.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 53.51 19.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.39 41.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -151.86 146.49 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 1.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 mtm -81.92 131.94 35.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.972 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -132.01 110.03 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -73.54 154.27 39.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 1.0 110.26 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 118' ' ' VAL . 1.8 mt -121.22 116.56 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -93.11 129.12 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 1.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.37 133.08 16.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 1.0 109.25 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -121.39 17.78 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 1.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -168.61 88.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.434 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 83.0 p -39.18 137.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -166.24 -172.14 33.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.092 . . . . 1.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -126.63 141.42 51.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 1.0 110.396 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.425 ' HA ' ' CD1' ' A' ' 155' ' ' ILE . 13.3 p -40.14 159.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 1.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -149.65 -45.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.452 1.095 . . . . 1.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 170.46 132.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -102.2 125.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -92.29 -44.16 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 1.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 91' ' ' PHE . 14.6 p -79.92 156.93 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -112.23 173.52 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 1.0 110.254 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.8 t -80.42 97.51 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 1.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.517 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.98 -5.6 23.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 1.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.99 150.28 80.91 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 1.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 161.33 38.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 1.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 152' ' ' LEU . 15.8 m -143.03 157.58 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.462 ' HA ' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -136.97 159.11 42.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 110.288 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 16.8 t80 -60.85 136.92 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 111.057 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 82.69 -6.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.389 1.056 . . . . 1.0 109.351 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -88.32 138.8 30.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 155.2 43.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.434 1.755 . . . . 1.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 146' ' ' VAL . 59.8 mt -117.94 -81.38 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.1 t -119.74 138.25 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 1.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.468 ' CG2' HD22 ' A' ' 139' ' ' LEU . 36.1 t -96.59 129.24 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 1.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 9.2 mm -118.7 163.85 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.641 -0.503 . . . . 1.0 109.641 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.09 124.61 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 1.0 109.278 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.0 t -83.07 135.06 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.617 1.198 . . . . 1.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.85 126.52 47.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 1.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.1 OUTLIER -39.1 99.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 110.021 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 1.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.16 112.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 147' ' ' GLU . 46.5 t -50.05 137.92 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 1.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.21 -134.02 3.22 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.524 1.14 . . . . 1.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 11.5 m -125.34 122.07 35.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 0.747 . . . . 1.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.4 t80 -88.98 130.66 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 1.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 52.3 m-85 -126.7 144.08 51.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -91.81 -17.76 24.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 1.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 73.4 p -132.64 155.44 81.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.54 13.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 1.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.32 170.74 7.2 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.86 13.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.428 1.751 . . . . 1.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -113.88 32.5 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 1.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.7 143.8 49.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 1.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -51.22 -179.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -100.43 133.12 45.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CE1' HG22 ' A' ' 114' ' ' THR . 13.0 m-85 -55.16 -39.84 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 1.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.461 HD11 ' CG1' ' A' ' 109' ' ' VAL . 1.9 tp -137.91 106.93 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 2.4 tt0 -90.99 123.16 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 1.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 104' ' ' GLU . 60.7 t -40.11 116.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.57 23.85 6.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 1.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.85 165.08 22.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 1.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -108.38 175.22 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 1.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 103' ' ' ILE . 15.5 m -150.45 140.04 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -118.06 142.75 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 1.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.56 109.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 1.0 109.26 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.47 4.8 10.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 1.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.42 135.6 47.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 1.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 102' ' ' PHE . 85.8 m -57.81 141.33 49.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 127' ' ' ILE . 3.9 pp -113.46 -32.54 6.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.67 -168.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 1.0 108.322 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.46 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.9 mt -135.96 145.62 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 1.0 109.323 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.41 ' N ' HG21 ' A' ' 117' ' ' ILE . 82.0 t -125.4 120.72 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -98.44 126.12 43.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 1.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.62 175.96 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 1.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.5 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 23.0 ptm 42.45 46.41 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 41.95 51.5 4.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 24.9 tpp -171.16 144.97 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.6 131.6 37.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 1.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.446 ' O ' ' CG2' ' A' ' 117' ' ' ILE . 30.1 m-80 -125.16 151.3 45.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 1.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -107.52 153.41 22.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.467 HG21 ' CD2' ' A' ' 115' ' ' LEU . 4.8 mm -114.89 116.53 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -95.65 122.25 38.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 1.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.45 133.16 1.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 1.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.463 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 47.4 t0 -117.14 14.53 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 1.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 130' ' ' ASP . 3.1 mptt -163.33 83.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 27.2 p -39.34 144.77 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 1.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 169.31 -173.1 43.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 1.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.453 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 4.0 m -108.84 170.41 8.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 1.0 110.411 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.453 ' N ' ' CG2' ' A' ' 134' ' ' THR . 8.0 p -61.09 152.41 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.482 1.113 . . . . 1.0 109.369 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -133.99 -47.52 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 1.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 166.56 133.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.464 ' CG2' HG12 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -102.58 130.71 52.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 1.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.27 -45.28 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 1.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 91' ' ' PHE . 13.4 p -75.29 140.04 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -100.99 134.12 44.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 110.297 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.9 p -44.43 95.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 1.0 109.963 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 131.6 -34.34 2.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 1.0 110.99 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.95 145.86 78.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 1.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.31 27.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 1.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 152' ' ' LEU . 16.5 m -148.77 163.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.422 ' HA ' ' CG2' ' A' ' 88' ' ' VAL . 1.2 pt-20 -146.5 168.75 20.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 2.8 t80 -62.81 135.6 57.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.32 -7.69 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 1.0 109.343 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 151' ' ' PRO . 0.0 OUTLIER -86.41 143.39 36.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 1.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . 0.405 ' O ' ' OE2' ' A' ' 150' ' ' GLU . 18.2 Cg_endo -74.95 158.46 42.36 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.57 1.826 . . . . 1.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 146' ' ' VAL . 92.8 mt -126.01 -80.27 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 1.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.464 HG12 ' CG2' ' A' ' 138' ' ' ILE . 6.8 t -133.83 139.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.204 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 17.4 t -91.56 123.99 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -114.92 161.35 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 1.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 14.4 tt0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 1.0 110.283 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.519 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.05 117.0 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.519 HG21 ' CE1' ' A' ' 81' ' ' HIS . 8.0 t -66.77 117.17 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 1.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.07 118.84 33.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 1.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -44.68 103.28 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 110.021 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 0.51 8.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.785 . . . . 1.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.18 139.34 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 1.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 t -74.83 142.17 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 1.0 109.317 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.26 -121.48 1.07 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.103 . . . . 1.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.8 m -130.92 170.85 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 1.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CD2' HG12 ' A' ' 140' ' ' VAL . 4.3 t80 -138.21 144.31 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.564 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.3 m-85 -138.73 158.85 43.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 1.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -114.32 -16.98 11.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 1.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.475 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 82.5 p -133.57 155.23 80.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 110.418 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.72 19.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.469 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -152.54 176.1 2.58 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 1.0 110.023 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 1.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.38 26.26 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 1.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.6 158.68 16.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.324 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -64.47 167.2 7.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.475 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -95.52 135.21 37.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 1.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 114' ' ' THR . 9.1 m-85 -53.85 -41.27 67.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 1.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.88 118.59 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.89 116.3 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -40.3 116.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 1.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.99 23.66 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 1.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.25 166.05 20.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 0.778 . . . . 1.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 7.3 ttpt -109.16 167.13 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.432 ' N ' ' CG ' ' A' ' 108' ' ' LYS . 15.4 m -145.17 147.8 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.607 1.192 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.465 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.3 m-80 -123.04 141.79 51.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 1.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.36 108.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.87 -7.29 6.89 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.451 1.095 . . . . 1.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.87 138.52 40.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.797 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.686 ' HG1' ' NE2' ' A' ' 126' ' ' GLN . 86.6 m -59.1 141.73 53.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 tp -113.48 -32.22 6.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 1.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.7 p -179.71 -162.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 108.312 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.511 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mt -143.85 158.7 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.472 ' CG2' HD12 ' A' ' 127' ' ' ILE . 3.2 t -144.4 129.27 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -87.25 138.03 31.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 1.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -161.11 148.15 15.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 89.6 mtp 54.43 19.9 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 1.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 38.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.9 tpp -152.88 136.98 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 1.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -70.07 134.41 48.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 1.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -131.51 104.89 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.686 ' NE2' ' HG1' ' A' ' 114' ' ' THR . 29.8 tt0 -67.55 148.02 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.472 HD12 ' CG2' ' A' ' 118' ' ' VAL . 1.9 mt -116.74 116.44 52.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -90.82 137.84 32.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 1.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.12 133.16 19.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.13 14.24 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.229 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -179.23 99.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.7 p -39.29 146.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 110.012 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.62 -173.06 45.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 1.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 31.5 m -115.85 171.65 7.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 1.0 110.357 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.4 p -60.43 164.85 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.367 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -147.83 -50.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.563 1.164 . . . . 1.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 171.17 140.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 1.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.473 ' CD1' ' CG1' ' A' ' 153' ' ' VAL . 4.4 mm -106.07 115.75 48.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -86.92 -44.91 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 1.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 91' ' ' PHE . 11.7 p -88.75 138.64 18.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -89.05 176.49 6.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 1.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.5 t -83.56 87.73 7.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 1.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.564 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 130.78 -5.39 5.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.406 1.066 . . . . 1.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -80.01 149.82 70.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 1.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 161.33 39.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 1.0 111.048 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.47 HG13 ' CD2' ' A' ' 152' ' ' LEU . 11.7 m -139.23 156.96 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.459 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 0.5 OUTLIER -133.52 152.61 51.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 110.265 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 16.0 t80 -61.99 135.86 57.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 1.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.1 t70 82.94 -5.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 28.0 mm-40 -90.73 150.23 41.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.79 39.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.56 1.821 . . . . 1.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 146' ' ' VAL . 70.4 mt -119.04 -81.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.5 HG22 ' CZ ' ' A' ' 91' ' ' PHE . 59.5 t -123.84 153.61 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 36.4 t -107.4 121.91 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -111.92 164.23 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 1.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.506 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.6 tt0 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.603 -0.518 . . . . 1.0 109.603 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.489 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 9.5 mm -88.87 122.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.9 t -88.2 116.35 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 1.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -102.73 115.87 31.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 1.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.38 107.16 0.45 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 110.024 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.53 8.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 1.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 ptp -159.44 145.1 15.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 1.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.47 140.46 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.15 -125.2 1.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.435 1.084 . . . . 1.0 111.003 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.429 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 51.7 m -124.66 167.06 15.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 1.0 110.341 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.569 ' CD1' HG11 ' A' ' 140' ' ' VAL . 3.7 t80 -140.58 128.03 21.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 1.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 79.3 m-85 -120.03 168.55 11.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.421 ' NH1' HD13 ' A' ' 138' ' ' ILE . 7.9 mtm180 -114.0 -13.73 12.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 1.0 110.233 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 74.5 p -133.47 155.46 80.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 110.399 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.21 15.03 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.428 1.752 . . . . 1.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.485 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -150.0 177.58 1.79 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 1.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -98.12 36.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 1.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.45 156.77 26.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -65.51 166.84 9.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -89.38 133.23 34.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 1.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.556 ' CE2' HG13 ' A' ' 117' ' ' ILE . 19.3 m-85 -56.34 -39.1 72.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 1.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.451 ' CD1' HG12 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -148.15 111.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.49 129.55 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 1.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.8 t -40.36 116.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.266 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 110.81 24.83 5.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.132 . . . . 1.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -129.79 167.47 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 0.751 . . . . 1.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 172.94 6.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 1.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 115' ' ' LEU . 15.8 m -149.17 143.2 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 1.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -121.61 145.62 47.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.27 108.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 1.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.19 25.17 4.22 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 1.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.58 135.0 48.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 1.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.522 HG23 ' CD1' ' A' ' 102' ' ' PHE . 60.1 m -58.47 142.31 49.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 1.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 109' ' ' VAL . 2.8 tp -112.32 -32.29 6.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.445 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.5 p 175.95 -173.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.556 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.6 mt -126.13 161.2 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 1.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.469 ' CG2' HD12 ' A' ' 127' ' ' ILE . 9.9 t -147.82 130.66 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.429 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.7 tt0 -87.22 126.62 34.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -155.75 149.25 24.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.6 mmm 47.12 42.31 12.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 121' ' ' MET . 17.3 ptmt 48.99 45.87 22.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.231 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.65 139.6 10.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 1.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.6 mmm -67.18 137.17 56.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 1.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -132.52 105.66 7.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.455 ' HG3' ' CG2' ' A' ' 114' ' ' THR . 15.3 tt0 -75.59 147.42 39.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 1.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 118' ' ' VAL . 2.4 mt -111.04 116.22 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -92.6 125.24 37.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.45 133.01 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.02 14.62 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 1.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 8.7 tttt -173.72 92.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 1.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' LYS . 70.4 p -39.23 142.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 1.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 173.76 -173.21 45.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.578 1.173 . . . . 1.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -116.15 167.31 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 1.0 110.44 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.49 ' N ' ' CG2' ' A' ' 134' ' ' THR . 11.8 p -52.83 162.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 1.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -149.34 -48.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 1.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.67 133.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.452 HG22 ' CG2' ' A' ' 153' ' ' VAL . 1.8 mt -105.04 115.65 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 1.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -81.69 -45.24 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 1.0 109.362 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 91' ' ' PHE . 7.9 p -90.83 139.14 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.22 173.91 7.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.86 97.95 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 1.0 109.989 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.1 -36.73 2.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 1.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -48.92 151.2 2.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.583 0.814 . . . . 1.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 1.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.419 HG13 ' CD2' ' A' ' 152' ' ' LEU . 22.5 m -150.45 157.26 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.06 . . . . 1.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.408 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 44.2 tt0 -139.47 149.38 43.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 1.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 13.1 t80 -60.23 138.49 57.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 1.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.5 t70 83.84 -6.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.2 mt-10 -95.06 147.35 32.89 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 1.0 110.222 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 154.71 43.14 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.485 1.781 . . . . 1.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.419 ' CD2' HG13 ' A' ' 146' ' ' VAL . 19.7 mt -117.48 -71.78 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 109.219 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.452 ' CG2' HG22 ' A' ' 138' ' ' ILE . 43.6 t -134.82 144.56 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.489 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 22.0 t -100.94 122.09 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.9 mp -108.63 163.08 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.491 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.4 pt-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 1.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.423 ' CG1' HG11 ' A' ' 154' ' ' VAL . 96.7 mt -84.26 135.46 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.222 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.3 t -106.39 118.04 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 1.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' SER . 9.8 mtt180 -95.67 126.39 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 110.384 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.414 ' CB ' HG22 ' A' ' 146' ' ' VAL . 0.3 OUTLIER -38.69 104.84 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.026 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 0.46 8.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.441 1.758 . . . . 1.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.28 126.63 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 1.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.6 t -64.43 138.37 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 1.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.01 -124.04 1.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.573 1.17 . . . . 1.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.4 m -128.68 167.47 17.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 0.776 . . . . 1.0 110.398 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.0 t80 -137.3 134.76 36.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.1 m-85 -126.2 155.74 41.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -104.48 -13.72 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 1.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 38.8 p -134.71 155.96 79.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 1.0 110.446 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.4 11.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 1.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.461 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -144.88 175.64 2.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 109.97 179.923 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 -38.29 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -107.89 44.62 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 1.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.08 160.16 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 1.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 164.86 24.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -78.15 132.94 37.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.547 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 12.1 m-85 -49.97 -40.85 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 1.0 111.059 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -134.93 127.69 48.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 1.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -97.86 112.46 24.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' GLU . 65.1 t -40.5 116.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 1.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.47 32.04 4.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 1.0 111.054 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -122.23 171.13 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 1.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -107.73 118.66 37.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 109.245 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.9 m -116.97 138.06 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 1.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 13.7 m120 -131.11 153.13 49.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.2 t -40.32 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.51 -23.45 4.26 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.503 1.127 . . . . 1.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.27 138.43 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 0.792 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.2 m -64.53 150.58 46.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.427 ' O ' ' CG2' ' A' ' 103' ' ' ILE . 1.4 tp -115.09 -36.79 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.603 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.75 -169.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 108.314 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.547 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 16.1 mm -131.42 159.04 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.47 ' CG2' HD12 ' A' ' 127' ' ' ILE . 3.0 t -144.55 130.65 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -88.59 135.19 33.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 1.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -177.32 169.65 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.2 ptp 42.52 45.76 3.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.128 . . . . 1.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.1 mttt 41.47 51.78 3.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.83 161.56 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.8 mtm -79.16 142.07 36.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -133.81 99.75 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.453 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -72.8 144.54 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.268 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 118' ' ' VAL . 3.2 mt -108.34 115.86 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 1.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -90.72 134.94 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 1.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.45 133.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 1.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 131' ' ' LYS . 41.2 m-20 -110.33 14.87 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 130' ' ' ASP . 9.2 mttt 169.67 104.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 52.5 p -39.08 149.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 1.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.55 -173.17 40.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 1.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.514 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 18.4 m -131.91 57.49 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 1.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.4 p 50.56 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.468 ' HB3' ' CA ' ' A' ' 155' ' ' ILE . 6.9 tttt -165.94 -50.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 173.58 137.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.511 ' N ' ' CD1' ' A' ' 138' ' ' ILE . 1.0 OUTLIER -103.88 146.47 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 1.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.426 ' CD2' HG22 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -116.63 -49.14 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.575 HG12 ' CE1' ' A' ' 91' ' ' PHE . 12.1 p -66.03 169.66 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.95 163.57 16.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 1.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.8 t -83.0 85.16 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 1.0 109.951 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.07 -5.54 7.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 1.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.76 151.23 64.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 1.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . 0.417 ' C ' ' CG1' ' A' ' 146' ' ' VAL . 18.2 Cg_endo -75.03 167.42 27.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 1.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 145' ' ' PRO . 2.6 m -151.68 158.43 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.157 . . . . 1.0 109.224 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 150' ' ' GLU . 6.5 pt-20 -143.14 132.97 23.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.552 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 5.2 t80 -34.25 145.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 1.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 86.16 -12.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.269 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.441 ' HG3' ' CG ' ' A' ' 147' ' ' GLU . 7.9 mm-40 -95.13 142.86 25.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 1.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 159.88 40.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 1.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.22 -81.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 1.0 109.239 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 138' ' ' ILE . 94.4 t -123.51 137.7 55.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 139' ' ' LEU . 3.0 t -101.95 135.43 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.468 ' CA ' ' HB3' ' A' ' 136' ' ' LYS . 5.2 mp -113.6 166.07 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.561 1.163 . . . . 1.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.454 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.0 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 1.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.418 ' ND1' ' HD3' ' A' ' 131' ' ' LYS . 3.5 t60 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.634 -0.506 . . . . 1.0 109.634 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.58 120.21 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.462 ' CG2' HD22 ' A' ' 115' ' ' LEU . 88.3 t -68.97 129.03 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 1.0 109.383 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -115.57 116.63 28.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 1.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.64 102.05 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.48 8.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 1.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.39 132.82 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.5 t -63.16 143.92 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.48 -138.59 5.39 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.534 1.146 . . . . 1.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 7.1 m -124.76 121.99 36.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 1.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.609 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 7.1 t80 -87.72 133.91 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 54.9 m-85 -131.48 143.19 50.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.31 -19.53 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 74.8 p -132.94 153.42 80.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 110.428 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 -17.19 19.67 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 1.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.25 170.64 7.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 1.0 110.045 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -31.04 6.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 1.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.29 42.36 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.59 144.86 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.07 171.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 1.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.453 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -99.31 135.72 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CD1' HG23 ' A' ' 114' ' ' THR . 4.2 m-85 -48.91 -43.86 39.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.7 pt -132.13 120.29 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' VAL . 13.9 mt-10 -88.68 112.17 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 1.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.443 HG23 ' CD1' ' A' ' 138' ' ' ILE . 91.9 t -39.92 115.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 1.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.55 27.22 5.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -121.82 171.12 9.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 1.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -104.38 132.69 50.35 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.439 1.087 . . . . 1.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.0 m -130.71 132.49 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 9.5 t30 -115.01 147.44 40.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 1.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.499 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.17 109.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 134.28 -31.48 2.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 1.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.86 135.45 38.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 1.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.569 HG23 ' CD1' ' A' ' 102' ' ' PHE . 64.9 m -55.04 144.35 23.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.468 ' CD1' ' HB1' ' A' ' 129' ' ' ALA . 1.2 tp -114.35 -35.07 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.609 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 31.5 p -177.96 -163.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 108.284 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.455 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mt -140.64 156.41 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 127' ' ' ILE . 94.2 t -136.97 119.55 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -95.72 125.99 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 123' ' ' MET . . . -155.04 161.61 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mtm 53.42 19.12 1.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 1.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.07 41.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 1.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.444 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 4.8 ptt? -162.03 139.03 8.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 1.0 110.974 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.2 ptp -77.49 144.24 37.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -139.15 105.52 5.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -64.75 147.8 52.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 118' ' ' VAL . 5.3 mt -114.94 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.19 132.68 34.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 1.0 110.338 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.468 ' HB1' ' CD1' ' A' ' 115' ' ' LEU . . . -52.18 133.04 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -125.17 23.48 7.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 1.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.418 ' HD3' ' ND1' ' A' ' 81' ' ' HIS . 6.3 mttp -169.61 81.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 68.9 p -39.2 147.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 1.0 109.926 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -178.56 -172.31 42.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 1.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.443 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 1.8 p -128.18 60.21 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 0.807 . . . . 1.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 134' ' ' THR . 4.4 p 49.03 -177.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 1.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.466 ' CE ' ' HB3' ' A' ' 156' ' ' GLU . 1.5 tptp -171.1 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 167.18 135.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 1.0 109.249 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.463 ' CG2' HG12 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -103.23 118.96 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -87.14 -46.18 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 1.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.573 HG13 ' CD2' ' A' ' 91' ' ' PHE . 13.3 p -82.0 138.46 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.35 137.56 38.6 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.466 1.104 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.0 p -42.8 100.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.32 -36.19 2.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 1.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -57.01 140.74 77.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 1.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 163.58 35.08 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.527 1.804 . . . . 1.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.477 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.2 m -142.21 157.96 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -126.95 168.89 13.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 1.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.497 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 28.4 t80 -65.68 130.54 43.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.3 t70 82.24 -4.26 1.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 1.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.27 146.3 62.01 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 1.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 151.45 40.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.397 1.735 . . . . 1.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' A' ' 146' ' ' VAL . 13.3 mt -119.05 -81.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 1.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.469 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 6.0 t -133.36 150.13 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.43 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 95.4 t -104.36 127.72 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.471 ' CG2' ' HA3' ' A' ' 133' ' ' GLY . 8.2 mt -119.82 149.37 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 1.0 109.282 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.466 ' HB3' ' CE ' ' A' ' 136' ' ' LYS . 17.5 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 1.0 110.256 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.558 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.589 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 11.8 mm -83.5 122.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.558 HG21 ' CE1' ' A' ' 81' ' ' HIS . 85.7 t -89.21 116.49 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 1.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -104.41 124.62 49.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 1.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 6.4 t -40.87 100.85 0.23 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 1.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.39 8.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.761 . . . . 1.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.98 111.32 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 1.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 19.2 t -48.63 142.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.8 -135.77 4.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.424 1.077 . . . . 1.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 m -126.27 121.2 31.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 1.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.584 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.4 t80 -87.35 130.11 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 1.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 45.3 m-85 -124.6 146.96 48.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 1.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -96.6 -17.41 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 70.2 p -131.6 155.44 81.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -23.71 13.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.382 1.727 . . . . 1.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.31 170.81 7.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 109.945 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.01 10.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 1.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.33 45.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.69 147.43 52.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.087 . . . . 1.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -52.97 174.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 1.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.458 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -93.65 133.09 37.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 114' ' ' THR . 8.3 m-85 -50.62 -41.85 55.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 1.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 13.5 mt -130.16 132.82 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 119.51 39.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.6 t -40.42 116.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 1.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 108.04 30.54 3.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.599 1.187 . . . . 1.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -136.63 158.5 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 1.0 110.289 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -100.95 166.41 10.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 1.0 109.318 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.55 145.16 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 1.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -130.01 146.49 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 1.0 109.226 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.56 109.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.81 -10.89 6.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.449 1.093 . . . . 1.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.84 138.21 35.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 1.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 102' ' ' PHE . 74.3 m -65.55 141.41 58.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 1.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.66 -33.04 6.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 23.2 p 178.97 -170.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 108.299 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.446 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 3.7 mt -133.71 156.79 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 127' ' ' ILE . 74.1 t -136.29 117.29 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -93.64 126.65 38.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 1.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -150.68 144.07 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.0 109.37 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.3 mtt 48.71 46.78 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.061 . . . . 1.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 121' ' ' MET . 10.7 ptmt 49.77 40.79 21.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 35.8 tpp -146.1 128.15 15.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.437 ' CG ' HG23 ' A' ' 117' ' ' ILE . 34.4 ttm -74.9 138.4 42.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -137.29 96.34 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.65 158.34 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.448 ' CD1' HG22 ' A' ' 118' ' ' VAL . 5.5 mt -123.65 116.05 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -96.41 127.47 42.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.364 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.42 133.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.169 . . . . 1.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.12 15.75 16.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 1.0 109.234 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -175.0 95.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 1.0 109.32 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.3 p -39.39 150.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 169.84 -179.41 42.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 1.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.4 p -106.42 -174.31 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 1.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.3 p -83.23 139.8 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 109.225 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -120.46 -44.87 2.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 164.04 139.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.46 ' CD1' HG12 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -103.84 132.07 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 1.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.466 ' CD2' HG22 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -103.15 -40.65 6.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 1.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.571 HG12 ' CE1' ' A' ' 91' ' ' PHE . 12.0 p -78.33 157.66 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.25 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.81 151.11 29.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.546 1.154 . . . . 1.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 87.7 p -64.43 83.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 133.57 -12.86 4.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.483 1.115 . . . . 1.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 147.27 88.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 1.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . 0.406 ' C ' ' CG1' ' A' ' 146' ' ' VAL . 18.4 Cg_endo -74.98 163.69 34.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 1.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.471 HG13 ' CD2' ' A' ' 152' ' ' LEU . 4.4 m -152.47 163.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -146.72 173.81 12.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 1.0 110.346 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 3.6 t80 -61.88 135.16 57.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.118 . . . . 1.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.94 -10.0 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -83.64 136.49 42.2 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 110.307 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 152.14 40.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 1.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 80.5 mt -119.04 -79.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 138' ' ' ILE . 2.9 t -122.54 142.59 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.589 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 24.3 t -100.79 115.48 42.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 1.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -108.5 163.9 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 1.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.505 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.8 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 1.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.583 -0.525 . . . . 1.0 109.583 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.416 HG13 ' CG1' ' A' ' 154' ' ' VAL . 2.0 mp -85.41 118.08 31.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.637 1.211 . . . . 1.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 115' ' ' LEU . 40.0 t -67.72 122.21 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -116.23 118.72 33.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.443 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -50.56 106.53 0.65 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 1.0 110.064 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 0.58 8.7 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 1.0 111.015 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.01 120.16 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 89' ' ' GLY . 18.1 t -45.93 151.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 146' ' ' VAL . . . 160.53 -128.96 2.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 1.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 56.7 m -142.96 120.96 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.414 0.714 . . . . 1.0 110.453 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.611 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 2.6 t80 -86.01 138.34 32.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 29.3 m-85 -134.6 149.31 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 1.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.47 ' CZ ' HD11 ' A' ' 138' ' ' ILE . 13.9 mmm-85 -95.67 -14.06 23.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 1.0 110.228 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 40.4 p -135.39 155.47 78.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 1.0 110.369 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -22.77 14.61 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.467 1.772 . . . . 1.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -145.31 174.85 3.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.017 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.0 -32.68 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 1.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.63 51.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.52 148.26 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 1.0 109.332 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 1.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.458 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -100.27 137.82 38.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.564 ' CE2' HD12 ' A' ' 117' ' ' ILE . 22.1 m-85 -61.66 -38.89 89.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 1.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 17.6 mt -140.47 133.21 32.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.2 133.78 54.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.12 116.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 1.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.51 48.71 1.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -149.71 155.2 39.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 1.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 7.8 tttm -107.16 167.95 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' A' ' 108' ' ' LYS . 18.0 m -147.23 144.7 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.94 142.59 47.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.28 108.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.48 -8.95 8.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 1.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 133.26 37.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 1.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.555 HG22 ' CE1' ' A' ' 102' ' ' PHE . 96.6 m -53.96 141.64 27.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 110.373 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 127' ' ' ILE . 2.5 pp -112.89 -32.65 6.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 109.386 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.611 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 16.9 p -178.76 -164.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 1.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.564 HD12 ' CE2' ' A' ' 102' ' ' PHE . 4.3 mm -135.97 161.32 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 1.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.472 ' CG2' HD12 ' A' ' 127' ' ' ILE . 4.6 t -143.54 119.31 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 1.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.71 140.36 36.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 1.0 110.235 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -164.51 143.86 7.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 1.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.2 mtm 54.73 24.22 5.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.175 . . . . 1.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.4 37.33 1.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 1.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.5 ttm -136.96 145.26 43.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.392 1.057 . . . . 1.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.403 ' N ' ' HE1' ' A' ' 124' ' ' MET . 0.4 OUTLIER -90.2 133.62 34.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 110.893 -179.866 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -134.88 98.77 4.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 1.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.421 ' CG ' HD13 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -71.06 151.34 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.472 HD12 ' CG2' ' A' ' 118' ' ' VAL . 3.0 mt -122.05 115.89 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 1.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -96.6 128.83 43.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 1.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.35 133.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.23 14.99 23.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -174.01 95.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 39.9 p -39.23 146.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 1.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 173.36 -172.86 45.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.405 1.066 . . . . 1.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 10.7 m -113.78 -177.01 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 0.717 . . . . 1.0 110.383 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.5 p -72.52 142.22 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 1.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -124.44 -45.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 163.14 132.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 1.0 109.337 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.47 HD11 ' CZ ' ' A' ' 93' ' ' ARG . 0.7 OUTLIER -102.29 132.06 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 1.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.27 -42.19 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.578 HG12 ' CD2' ' A' ' 91' ' ' PHE . 11.5 p -72.61 137.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 1.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.3 OUTLIER -102.04 131.17 48.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 1.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 60.5 p -44.3 95.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 1.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 133.11 -30.74 3.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 1.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -57.77 140.87 80.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 140.53 25.41 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 1.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 85' ' ' SER . 1.0 OUTLIER -101.84 162.77 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 11.4 mm-40 -143.39 167.84 21.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 1.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 9.0 t80 -61.17 138.02 58.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 1.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 56.67 17.66 3.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 1.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 7.5 tm-20 -90.37 137.02 27.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 1.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . 0.401 ' O ' ' OE1' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -74.97 156.35 43.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 1.0 111.035 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' VAL . 60.3 mt -130.35 -81.78 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 1.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.439 HG22 ' CE2' ' A' ' 91' ' ' PHE . 21.1 t -119.49 154.13 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 1.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 25.0 t -109.74 118.36 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.8 mp -110.28 163.26 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.6 pt-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 1.0 110.244 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.454 ' O ' ' ND1' ' A' ' 81' ' ' HIS . 1.9 p80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CG1' HG21 ' A' ' 154' ' ' VAL . 3.8 mp -94.61 116.4 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 152' ' ' LEU . 6.7 t -75.9 119.31 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 1.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.78 127.15 51.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 1.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.498 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.3 OUTLIER -46.59 106.17 0.55 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 1.0 109.993 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 0.71 8.62 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 1.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -162.87 134.03 4.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 1.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.2 t -67.18 138.53 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.52 -124.37 1.3 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 1.0 110.998 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 88.0 m -127.88 164.29 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 1.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 140' ' ' VAL . 4.3 t80 -137.54 122.96 19.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 1.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 61.4 m-85 -116.08 162.8 16.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 1.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -108.71 -13.8 14.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 38.3 p -136.69 155.48 76.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 1.0 110.391 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -18.16 18.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 1.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -153.74 176.15 2.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.965 179.941 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 -36.48 2.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 1.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.78 23.65 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 1.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.52 158.59 15.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.601 1.188 . . . . 1.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -63.56 168.95 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 1.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -93.41 133.34 36.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.096 . . . . 1.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.667 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 28.2 m-85 -59.64 -37.74 79.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 1.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.406 ' O ' ' CG1' ' A' ' 103' ' ' ILE . 1.7 pp -143.59 100.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.84 120.24 24.93 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 67.5 t -40.17 116.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 1.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 114.05 5.63 21.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 1.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.58 164.7 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 1.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -113.26 169.85 8.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 1.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.41 HG23 ' CD2' ' A' ' 115' ' ' LEU . 22.2 m -143.03 144.31 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 1.2 p30 -118.63 148.62 42.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.18 108.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.371 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.97 10.86 11.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 1.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.0 133.94 53.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 1.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.475 ' HG1' ' NE2' ' A' ' 126' ' ' GLN . 23.5 m -60.37 143.62 52.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.41 ' CD2' HG23 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -112.17 -31.09 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.2 p 177.72 -172.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 1.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.667 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 24.2 mm -123.46 154.21 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.467 ' CG2' HD13 ' A' ' 127' ' ' ILE . 25.2 t -134.67 127.89 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.67 136.72 38.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -134.1 -175.94 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.08 . . . . 1.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -42.08 92.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 1.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER 39.97 51.11 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 1.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.68 116.7 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ttt -84.06 132.27 34.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.451 ' N ' HD21 ' A' ' 125' ' ' ASN . 1.1 m-80 -129.3 159.92 34.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.475 ' NE2' ' HG1' ' A' ' 114' ' ' THR . 31.3 tt0 -128.21 148.88 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 118' ' ' VAL . 2.2 mt -105.78 116.29 49.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 1.8 pm0 -101.44 121.89 42.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.46 133.03 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 1.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.5 p30 -112.92 15.49 19.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.0 OUTLIER -175.32 96.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 1.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 82.8 p -39.25 132.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 1.0 109.957 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.74 -171.81 31.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.112 . . . . 1.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.1 m -126.65 149.36 49.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 0.727 . . . . 1.0 110.45 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.0 p -41.26 160.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.47 ' HG3' ' CB ' ' A' ' 156' ' ' GLU . 0.2 OUTLIER -151.81 -46.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.555 1.159 . . . . 1.0 109.247 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 174.16 132.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.249 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -103.42 112.61 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 1.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -82.13 -41.28 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 91' ' ' PHE . 12.7 p -81.43 149.91 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -105.31 158.13 16.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 1.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.66 95.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 124.31 -33.9 3.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.549 1.156 . . . . 1.0 111.106 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.28 151.61 13.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.807 . . . . 1.0 110.299 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 167.23 27.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.366 1.719 . . . . 1.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.498 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 26.8 m -144.0 157.62 15.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 1.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.468 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.1 mt-10 -133.46 155.2 49.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 110.377 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 18.2 t80 -62.93 134.94 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.4 t70 83.51 -5.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 1.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 49.6 mm-40 -87.77 149.43 45.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 110.244 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 161.36 38.88 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 1.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 71.4 mt -132.39 -81.7 0.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 1.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.7 t -123.84 144.29 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 1.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.467 HG21 ' CG1' ' A' ' 82' ' ' ILE . 89.8 t -105.91 125.91 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.7 mm -109.3 162.27 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.47 ' CB ' ' HG3' ' A' ' 136' ' ' LYS . 2.6 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.47 HG13 ' CG1' ' A' ' 154' ' ' VAL . 4.2 mp -91.53 130.18 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 1.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.6 t -81.16 119.97 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.075 . . . . 1.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -104.66 112.98 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.48 103.81 0.36 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 1.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.36 8.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 1.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.5 mtt -149.0 134.02 18.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 1.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 148' ' ' PHE . 10.8 t -74.79 144.6 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.51 -118.95 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 1.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.428 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 90.9 m -130.82 167.19 19.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 1.0 110.408 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 140' ' ' VAL . 3.0 t80 -138.82 138.14 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 64.3 m-85 -130.62 161.36 31.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 1.0 111.051 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.4 mmm-85 -108.78 -13.84 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 49.7 p -133.63 155.46 80.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.83 7.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.564 1.823 . . . . 1.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -142.33 178.0 1.67 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.017 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.97 -45.83 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.429 1.752 . . . . 1.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -99.47 47.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 1.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.05 160.72 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.503 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -71.75 165.07 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 1.0 109.377 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -84.21 133.21 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 1.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.485 ' CE1' HG22 ' A' ' 114' ' ' THR . 13.0 m-85 -53.93 -40.31 66.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -138.06 103.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 11.1 pt-20 -82.74 118.18 23.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 104' ' ' GLU . 94.0 t -40.29 116.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 1.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.43 5.99 15.88 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 1.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.94 171.13 8.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 1.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -115.63 176.8 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.0 m -150.94 146.73 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.467 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 0.6 OUTLIER -123.34 146.62 47.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 109.384 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 131' ' ' LYS . 3.2 t -40.2 108.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 1.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.22 -3.53 10.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 1.0 111.044 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.38 135.11 44.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.783 . . . . 1.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.485 HG22 ' CE1' ' A' ' 102' ' ' PHE . 58.0 m -58.27 144.89 39.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 mt -112.85 -34.17 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.4 p 174.89 -173.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 108.328 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.457 HG13 ' CE2' ' A' ' 102' ' ' PHE . 4.6 mt -124.96 158.78 32.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 1.0 109.235 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.455 ' CG2' HD12 ' A' ' 127' ' ' ILE . 36.4 t -143.35 125.2 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.428 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.3 tt0 -83.76 127.95 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.02 167.48 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 20.8 ptp 42.59 45.6 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 1.0 110.937 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.2 51.69 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 1.0 109.358 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.27 154.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 1.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -78.3 138.52 38.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 111.068 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -130.2 106.92 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.437 ' CG ' HG21 ' A' ' 114' ' ' THR . 13.7 tt0 -79.24 146.96 32.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.455 HD12 ' CG2' ' A' ' 118' ' ' VAL . 1.7 mt -109.07 116.62 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 1.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -95.7 114.62 26.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 110.315 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.39 132.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 1.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -117.76 14.24 14.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 1.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.413 ' N ' HG21 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -164.84 93.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.407 1.067 . . . . 1.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 63.5 p -39.08 138.66 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 1.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -170.05 -172.32 36.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 1.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.432 ' HB ' ' CG ' ' A' ' 156' ' ' GLU . 1.2 m -128.51 149.21 50.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 1.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.463 ' HA ' ' CD1' ' A' ' 155' ' ' ILE . 11.9 p -41.44 161.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.3 OUTLIER -151.89 -45.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 1.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 171.48 132.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -101.6 114.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -83.76 -42.67 16.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 1.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.568 HG12 ' CE2' ' A' ' 91' ' ' PHE . 14.4 p -78.31 159.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 1.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.02 162.25 16.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 1.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.0 t -75.38 92.33 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 119.05 -5.81 13.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.42 1.075 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.82 150.73 72.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 1.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 159.19 41.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.596 1.84 . . . . 1.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.4 m -138.82 157.97 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -127.79 162.02 27.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.357 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 25.5 t80 -64.56 131.6 47.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 1.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.6 t70 82.32 -4.25 1.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.595 1.184 . . . . 1.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -82.49 141.15 45.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 1.0 110.247 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 153.59 42.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 1.0 111.071 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 146' ' ' VAL . 82.9 mt -123.29 -81.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.4 1.062 . . . . 1.0 109.361 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.7 t -115.34 139.55 41.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 86.3 t -102.89 118.98 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 11.2 mm -104.3 162.5 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 1.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.567 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 17.4 m-70 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -138.61 115.9 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 1.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 152' ' ' LEU . 53.7 t -80.87 117.39 26.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -104.38 119.62 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 1.0 110.354 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.491 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.2 OUTLIER -38.88 99.47 0.19 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 1.0 110.021 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 1.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.2 tpp -159.83 115.21 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 1.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 148' ' ' PHE . 10.7 t -56.12 145.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.18 -118.51 0.91 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 1.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 98.0 m -130.05 166.53 19.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 1.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.2 t80 -137.65 133.64 34.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 63.4 m-85 -127.09 153.59 45.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 1.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.441 ' NH2' ' O ' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -104.27 -13.97 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 69.5 p -135.38 155.57 78.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -10.54 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 1.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.435 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -159.66 174.63 3.81 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.409 1.068 . . . . 1.0 109.97 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.03 -34.5 3.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 1.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.0 19.91 18.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.626 1.204 . . . . 1.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' A' ' 96' ' ' SER . . . -98.8 150.77 21.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.167 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -52.37 170.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 1.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -101.5 138.1 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CE1' HG22 ' A' ' 114' ' ' THR . 20.2 m-85 -61.88 -38.83 89.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -150.42 103.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -87.71 133.14 33.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 1.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' GLU . 62.6 t -40.4 117.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 1.0 109.296 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.55 25.27 6.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 1.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -124.32 165.36 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 1.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.75 174.67 5.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 1.0 109.223 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.0 m -152.4 150.95 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 1.0 109.236 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.43 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.7 m120 -137.01 146.54 45.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 1.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.4 108.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 1.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.27 -15.21 6.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 1.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.17 138.19 34.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.771 . . . . 1.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.566 HG22 ' CE1' ' A' ' 102' ' ' PHE . 94.2 m -53.82 173.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 1.0 110.437 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.459 ' HA ' ' CD1' ' A' ' 103' ' ' ILE . 5.3 tp -136.8 -46.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.6 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 14.0 p -175.38 -168.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 108.253 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.421 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.9 mt -132.97 153.38 37.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 1.0 109.271 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 127' ' ' ILE . 43.7 t -133.74 131.74 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -99.61 128.63 45.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 1.0 110.242 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.86 149.86 26.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 1.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.415 ' N ' ' SD ' ' A' ' 121' ' ' MET . 2.4 mpt? 52.48 25.49 3.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 1.0 111.051 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.58 42.31 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 1.0 109.247 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.9 147.18 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.82 131.39 35.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -132.36 101.2 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 1.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.94 157.75 27.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.462 HD12 ' CG2' ' A' ' 118' ' ' VAL . 5.1 mt -128.96 115.88 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 1.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -86.42 153.29 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.46 141.03 58.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 1.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -121.03 21.59 11.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 81' ' ' HIS . 0.1 OUTLIER 173.8 106.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.43 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 84.0 p -50.64 149.12 3.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 1.0 109.95 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 169.92 -174.76 44.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 1.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 12.9 m -116.75 165.62 13.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 1.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.8 p -52.92 162.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.353 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -149.01 -49.73 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.242 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 173.56 133.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 1.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.409 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.6 OUTLIER -106.56 114.28 45.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -83.19 -42.86 16.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.575 HG12 ' CD2' ' A' ' 91' ' ' PHE . 13.5 p -81.8 149.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.27 165.35 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.1 p -72.67 88.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.18 -12.52 6.75 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.465 1.103 . . . . 1.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.32 150.48 94.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 1.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.7 32.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.767 . . . . 1.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.491 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 20.7 m -142.41 157.85 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 1.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.41 ' CG ' HG12 ' A' ' 88' ' ' VAL . 1.9 mt-10 -135.5 160.07 39.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.533 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 39.1 t80 -63.75 132.02 49.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 1.0 111.08 179.891 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.93 -10.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 -179.925 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.72 144.77 56.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 1.0 110.363 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 156.02 42.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.549 1.815 . . . . 1.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 146' ' ' VAL . 36.4 mt -120.87 -80.3 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 1.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.409 ' CG2' HG22 ' A' ' 138' ' ' ILE . 13.7 t -130.34 138.68 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 71.8 t -97.49 123.34 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -106.56 164.15 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.387 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.502 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.9 tp10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.466 ' CE1' ' HB ' ' A' ' 155' ' ' ILE . 1.2 p80 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 109.603 -0.517 . . . . 1.0 109.603 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.42 ' CG1' HG12 ' A' ' 154' ' ' VAL . 2.9 mt -137.4 117.79 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 152' ' ' LEU . 37.7 t -78.37 121.17 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -109.05 120.39 42.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.483 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -45.83 103.99 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 1.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.69 8.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.531 1.806 . . . . 1.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.9 mtp -154.91 141.94 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.4 t -78.91 139.0 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.18 -122.87 1.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 1.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.432 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 93.7 m -127.07 168.29 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 1.0 110.447 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.601 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 2.8 t80 -140.32 129.63 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 1.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 77.1 m-85 -123.06 163.77 19.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 1.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.7 -13.78 13.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 1.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 26.4 p -136.94 155.37 76.37 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.595 1.184 . . . . 1.0 110.452 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.16 10.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 1.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -145.77 178.7 1.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.0 -39.75 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 1.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -106.8 43.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.14 156.14 35.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -60.91 170.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -98.36 133.2 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.643 ' CD1' ' CG2' ' A' ' 114' ' ' THR . 31.4 m-85 -60.01 -37.41 79.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -135.86 94.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -83.33 112.58 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 1.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 79.4 t -40.53 116.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 1.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.99 17.15 11.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 1.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -120.33 166.93 12.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 1.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -111.05 161.58 15.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 1.0 109.344 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.66 146.23 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 1.0 109.335 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.458 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 3.4 p30 -127.56 146.14 50.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.39 -7.89 9.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 1.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.93 138.49 35.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 1.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.643 ' CG2' ' CD1' ' A' ' 102' ' ' PHE . 90.7 m -52.29 174.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 tp -138.67 -45.98 0.49 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 1.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.601 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -176.55 -164.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 108.348 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.565 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mt -135.05 155.03 37.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 109.363 179.882 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.402 ' N ' HG21 ' A' ' 117' ' ' ILE . 47.9 t -141.42 126.63 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.432 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.2 tt0 -85.13 126.92 34.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 1.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.95 157.49 29.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 1.8 mtp 46.76 41.14 9.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 121' ' ' MET . 10.8 ptmt 48.64 47.17 20.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 1.0 109.335 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.45 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -166.12 144.78 5.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.979 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ptm -71.42 133.95 46.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 1.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 123' ' ' MET . 11.8 m-80 -128.4 102.59 6.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -64.06 159.09 20.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.8 mm -125.98 115.85 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 109.328 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -93.95 149.87 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.12 165.06 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 1.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.14 18.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 10.8 tttt 179.98 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 62.6 p -39.35 146.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 110.025 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.03 -173.45 46.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 1.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.1 m -122.12 154.45 37.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 1.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.9 p -45.1 159.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.368 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -144.21 -48.77 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 1.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 174.37 132.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 1.0 109.364 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.464 ' CG2' HG12 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.45 125.51 57.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -93.16 -42.84 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 109.362 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.565 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 10.3 p -76.88 165.69 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 1.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.88 166.13 13.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 1.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.64 94.01 5.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.007 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 117.35 -6.53 16.74 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 1.0 111.001 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.86 151.28 73.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 1.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 159.73 40.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.483 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 4.4 m -139.43 157.14 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.46 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 0.2 OUTLIER -129.71 155.33 46.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.369 179.935 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 10.7 t80 -62.46 135.72 57.56 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.527 1.142 . . . . 1.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.5 t0 84.48 -7.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.46 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 10.9 mm-40 -85.51 148.72 50.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 1.0 110.268 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.99 36.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 1.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' VAL . 29.7 mt -127.93 -80.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.464 HG12 ' CG2' ' A' ' 138' ' ' ILE . 5.8 t -131.33 140.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 1.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 139' ' ' LEU . 3.5 t -100.22 130.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 19.7 mt -117.15 164.25 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.508 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.3 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 1.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.562 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.9 mt -94.54 122.55 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 81' ' ' HIS . 55.1 t -74.91 117.17 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 1.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -107.28 113.82 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.295 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 150' ' ' GLU . 0.3 OUTLIER -40.83 101.3 0.24 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 1.0 110.036 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 0.42 8.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.585 1.834 . . . . 1.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.2 tpp -154.69 133.97 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 147' ' ' GLU . 2.8 t -69.91 140.59 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.98 -121.09 1.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 1.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.0 m -131.93 165.17 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 1.0 110.387 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' A' ' 140' ' ' VAL . 3.9 t80 -135.23 131.05 36.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 1.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 57.9 m-85 -124.35 148.97 47.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 1.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 23.8 mmm-85 -97.59 -13.75 21.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 1.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 21.4 p -136.92 155.59 76.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.12 21.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 1.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.456 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -159.68 175.48 3.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.968 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.09 -32.43 5.29 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 1.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -118.53 35.39 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.53 160.21 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 173.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 109.36 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.453 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -101.56 133.01 46.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.616 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 32.6 m-85 -60.17 -37.35 79.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.36 98.92 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 1.0 109.334 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.89 114.89 20.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.1 t -42.02 116.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 1.0 109.372 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.95 11.48 16.29 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -115.64 171.17 7.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 1.0 110.314 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 159.16 18.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 109.216 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.77 134.08 48.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 1.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -122.97 150.28 43.19 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.457 1.098 . . . . 1.0 109.217 -179.927 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.58 109.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.12 -14.6 7.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 1.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.14 137.63 32.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.467 HG21 ' CG ' ' A' ' 126' ' ' GLN . 59.5 m -63.3 162.92 11.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 1.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.4 tp -123.46 -43.23 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.267 -179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.551 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.0 p -176.05 -168.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 1.0 108.259 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.616 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 16.1 mm -131.1 148.73 32.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.514 1.134 . . . . 1.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.409 ' N ' HG21 ' A' ' 117' ' ' ILE . 38.9 t -129.26 127.15 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 1.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.15 135.65 41.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 1.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -133.32 -175.96 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.9 mmm -39.92 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 1.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 120' ' ' ALA . 10.3 ptmm? 40.16 54.96 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.99 117.39 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.606 1.191 . . . . 1.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -91.48 134.81 34.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 1.0 111.023 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.476 ' O ' ' CG2' ' A' ' 117' ' ' ILE . 7.1 m-80 -133.98 162.84 30.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' CG ' HG21 ' A' ' 114' ' ' THR . 31.5 tt0 -128.68 154.36 46.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 1.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.2 mt -111.94 117.16 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -97.56 128.91 44.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 1.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.48 133.02 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -119.1 14.83 13.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.35 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.89 90.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 1.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 85.4 p -39.24 135.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 1.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.87 -173.16 41.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 1.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 135' ' ' VAL . 96.4 m -115.18 154.51 28.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 1.0 110.365 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.415 ' N ' HG21 ' A' ' 134' ' ' THR . 9.4 p -49.73 145.59 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.464 ' HD3' ' CA ' ' A' ' 156' ' ' GLU . 1.8 ttpp -124.68 -45.54 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 166.98 133.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.316 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 93' ' ' ARG . 1.6 mt -100.23 130.52 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.95 -46.52 5.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 1.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.567 HG13 ' CE2' ' A' ' 91' ' ' PHE . 14.9 p -69.71 167.89 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 1.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.48 160.01 24.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 1.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.3 p -73.85 89.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 110.011 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 122.49 -10.1 9.25 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 1.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.49 149.19 86.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 1.0 110.285 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.46 43.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 1.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 152' ' ' LEU . 2.9 m -138.82 163.64 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.466 ' HA ' ' CG1' ' A' ' 88' ' ' VAL . 3.4 pt-20 -138.43 163.37 32.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 1.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 24.7 t80 -62.75 134.79 56.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.063 . . . . 1.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 11.7 t0 81.73 -3.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 1.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.4 ' O ' ' OG ' ' A' ' 85' ' ' SER . 2.5 tm-20 -86.46 139.82 33.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 158.32 42.19 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.473 1.775 . . . . 1.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 35.2 mt -127.83 -79.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.46 ' CG2' HG22 ' A' ' 138' ' ' ILE . 5.8 t -124.99 140.62 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 1.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.442 ' CG1' ' HE3' ' A' ' 136' ' ' LYS . 35.2 t -101.08 130.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.6 mp -121.27 163.73 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 1.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.486 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 6.9 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.52 ' CD2' HG21 ' A' ' 155' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.594 -0.521 . . . . 1.0 109.594 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.6 mp -91.22 116.2 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 1.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 152' ' ' LEU . 62.4 t -81.97 121.6 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.421 1.076 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -113.8 128.83 56.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 1.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 t -47.98 105.26 0.47 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 1.0 109.968 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.53 8.79 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.457 1.767 . . . . 1.0 111.022 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.66 125.78 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 1.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.9 t -53.7 138.22 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.78 -143.16 7.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 1.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 86.6 m -123.9 120.12 31.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 1.0 110.395 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.2 t80 -86.28 128.52 34.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 40.0 m-85 -121.05 146.01 47.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 1.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 5.9 mmm180 -95.04 -15.06 23.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 68.8 p -130.58 155.51 81.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 110.422 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -29.74 8.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.382 1.728 . . . . 1.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.491 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -140.59 177.72 1.86 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 1.0 109.973 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.04 -44.7 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 1.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -99.35 50.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.78 143.91 43.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.401 1.063 . . . . 1.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 168.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -77.63 132.97 38.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 114' ' ' THR . 5.5 m-85 -47.51 -43.14 24.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.447 ' O ' ' NH2' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -132.11 126.44 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 1.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -96.36 115.68 27.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 1.0 110.323 179.936 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.426 ' CG2' HD12 ' A' ' 138' ' ' ILE . 79.8 t -39.95 116.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 1.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 114.54 11.54 11.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 1.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.45 165.57 13.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 1.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.57 161.39 14.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -139.99 141.5 33.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 1.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -126.52 148.36 49.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.44 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 1.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.65 -15.64 5.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 1.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.84 135.71 33.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 0.798 . . . . 1.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.573 HG22 ' CE1' ' A' ' 102' ' ' PHE . 49.4 m -61.03 149.25 37.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 1.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 tp -116.7 -38.46 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 15.6 p -179.47 -171.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 118' ' ' VAL . 6.0 mt -133.06 158.3 43.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 1.0 109.396 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.47 ' CG2' HD12 ' A' ' 127' ' ' ILE . 94.2 t -138.29 120.24 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -94.31 125.3 38.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 1.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.78 142.53 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.4 mmm 53.85 29.18 9.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 1.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? 69.09 37.05 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.69 131.31 24.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.2 mtt -78.12 133.22 37.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -134.61 103.35 5.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.288 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.58 158.3 27.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 1.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 118' ' ' VAL . 3.3 mt -132.63 115.85 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 1.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -88.11 149.84 23.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 1.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.58 133.13 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.01 17.8 19.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.0 OUTLIER 177.81 90.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 1.0 109.376 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' LYS . 87.3 p -39.41 143.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.0 109.967 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 172.6 -172.94 45.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.102 . . . . 1.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.2 m -107.66 165.45 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 1.0 110.438 179.926 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.07 147.63 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.514 1.133 . . . . 1.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -126.67 -47.22 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 1.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 167.81 135.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.471 ' CG2' HG12 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -101.9 118.2 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -88.43 -42.32 12.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 1.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 91' ' ' PHE . 13.2 p -83.54 148.49 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 1.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.47 161.64 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 1.0 110.345 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.1 p -65.15 99.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 1.0 110.052 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 119.61 -26.46 7.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 1.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -56.6 140.39 74.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 1.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 159.83 40.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 1.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.473 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.7 m -141.33 157.05 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.478 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 0.0 OUTLIER -127.72 165.58 19.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 110.256 -179.934 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.533 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 19.8 t80 -64.69 128.97 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 1.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 7.1 t70 84.68 3.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 1.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.478 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 23.4 mm-40 -89.81 150.47 43.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 165.28 31.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 1.0 111.033 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.473 ' CD2' HG13 ' A' ' 146' ' ' VAL . 80.9 mt -135.05 -81.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.471 HG12 ' CG2' ' A' ' 138' ' ' ILE . 9.3 t -133.11 149.43 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 1.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 27.6 t -103.28 127.11 57.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 81' ' ' HIS . 1.9 mp -116.16 164.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 1.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 1.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 130' ' ' ASP . 1.9 t60 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.457 ' CG1' HG12 ' A' ' 154' ' ' VAL . 2.7 mp -100.45 118.28 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 115' ' ' LEU . 86.4 t -63.97 116.53 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -108.97 103.1 12.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.56 104.6 0.33 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 1.0 109.935 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.53 8.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.369 1.721 . . . . 1.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.5 mtt -148.74 128.73 13.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 1.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 148' ' ' PHE . 21.0 t -69.92 141.3 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 1.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.95 -123.27 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 1.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.467 ' CA ' HG21 ' A' ' 146' ' ' VAL . 98.8 m -125.28 168.94 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 1.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.576 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.4 t80 -139.3 139.08 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 1.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.512 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.7 m-85 -133.37 150.74 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.576 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.5 mmm180 -97.61 -16.41 20.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 1.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 82.4 p -131.99 155.54 81.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 1.0 110.466 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.03 15.22 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.441 1.759 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.79 169.17 9.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 1.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.67 13.55 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 1.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.64 35.94 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.99 148.65 46.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -56.54 170.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 1.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -88.76 134.48 33.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 1.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CE1' HG22 ' A' ' 114' ' ' THR . 10.0 m-85 -53.87 -40.99 67.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 1.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.435 ' O ' ' NH2' ' A' ' 93' ' ' ARG . 0.4 OUTLIER -137.16 129.33 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 1.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 2.7 tt0 -106.68 119.64 39.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 1.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . 59.6 t -40.39 116.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.03 26.19 4.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 1.0 111.063 -179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.01 161.82 34.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 1.0 110.236 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -104.23 174.63 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 1.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.8 m -151.09 138.88 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 1.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' VAL . 2.0 t-20 -127.67 148.94 50.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -40.45 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 1.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.21 -6.46 6.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.581 1.176 . . . . 1.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.44 137.77 46.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 0.734 . . . . 1.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.55 HG22 ' CE1' ' A' ' 102' ' ' PHE . 88.3 m -59.17 174.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.425 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -136.61 -46.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 1.0 109.359 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -174.53 -163.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 1.0 108.29 179.946 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.461 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.3 mt -138.5 152.63 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 127' ' ' ILE . 16.3 t -135.49 133.15 52.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 1.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.0 tt0 -95.37 129.87 42.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.02 169.1 8.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.5 ptp 42.53 45.71 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm 41.53 51.84 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.25 157.61 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 1.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttp -80.57 143.02 33.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -137.42 98.45 3.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -68.67 153.55 43.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 1.0 110.31 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.462 HD12 ' CG2' ' A' ' 118' ' ' VAL . 4.0 mt -120.69 115.77 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -93.13 146.38 23.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 110.348 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.75 133.13 21.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 1.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.444 ' OD2' ' NE2' ' A' ' 81' ' ' HIS . 2.2 p30 -124.35 15.74 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -173.11 84.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.0 p -39.25 132.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.005 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -179.72 -173.1 44.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 1.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 14.3 m -108.99 170.88 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 1.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.432 ' N ' ' CG2' ' A' ' 134' ' ' THR . 8.9 p -64.79 145.56 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.454 1.097 . . . . 1.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -124.73 -46.86 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 1.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 166.9 133.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.576 ' CD1' ' CZ ' ' A' ' 93' ' ' ARG . 1.2 mt -102.06 133.09 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 1.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.63 -44.75 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 91' ' ' PHE . 12.2 p -82.62 141.42 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.8 -179.24 3.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 1.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.6 99.08 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 1.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.512 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 121.97 -29.42 5.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 1.0 111.001 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -52.47 150.16 9.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 1.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.12 11.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 1.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.527 ' CG1' ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -148.57 156.54 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 1.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 10.6 tt0 -134.99 170.43 15.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 110.327 179.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.413 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 32.6 t80 -59.67 137.29 58.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 1.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 55.28 19.27 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 1.0 109.305 179.937 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 36.7 tp10 -80.72 135.15 52.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 1.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -75.02 122.89 7.48 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 1.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.527 ' CD2' ' CG1' ' A' ' 146' ' ' VAL . 23.4 mt -99.64 -77.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.6 t -124.88 139.89 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 21.0 t -96.38 125.17 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 1.0 109.236 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.7 mp -113.03 160.76 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 1.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 1.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.599 -0.519 . . . . 1.0 109.599 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.458 HG13 ' CG1' ' A' ' 154' ' ' VAL . 5.0 mp -92.06 129.67 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 1.0 109.26 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.3 t -83.7 120.96 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -99.67 125.29 45.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.465 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -47.23 104.82 0.43 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 109.999 -179.927 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.35 8.98 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.553 1.818 . . . . 1.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.1 tpt -159.96 143.8 14.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -79.67 139.12 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.62 -122.12 1.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 1.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.5 m -127.76 169.55 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.771 . . . . 1.0 110.418 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.563 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 2.6 t80 -139.93 140.44 36.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 1.0 110.985 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 72.0 m-85 -133.82 150.3 51.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 6.1 mmm180 -94.95 -18.76 20.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 44.7 p -129.27 155.4 80.04 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -28.94 8.71 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.799 . . . . 1.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -141.86 175.05 3.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 1.0 110.065 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 -44.55 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 1.0 111.049 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.47 24.07 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.51 138.49 49.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 1.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -56.97 178.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 1.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -85.39 133.13 34.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CE1' HG22 ' A' ' 114' ' ' THR . 5.3 m-85 -49.6 -42.63 45.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 1.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 17.4 mt -129.46 121.57 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -90.26 112.84 24.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 104' ' ' GLU . 55.8 t -40.33 116.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.01 27.35 6.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 1.0 111.063 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.98 161.66 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 1.0 110.23 -179.935 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -98.35 141.46 31.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 1.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.5 m -138.82 130.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.463 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 22.0 m-80 -122.01 155.07 36.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 1.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -40.46 112.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 1.0 109.264 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.14 -23.62 4.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 1.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.11 135.09 37.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.736 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 102' ' ' PHE . 94.0 m -51.23 174.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 129' ' ' ALA . 0.2 OUTLIER -136.91 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 1.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.563 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -172.96 -164.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.475 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.3 mt -137.1 152.78 28.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -135.32 128.81 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 1.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -91.95 128.96 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 1.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -163.3 151.71 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.0 mtp 53.29 21.22 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.95 40.84 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 1.0 109.368 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.6 mmm -149.14 152.5 36.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.93 103.07 15.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -95.25 112.75 24.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 1.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -73.89 143.76 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.6 mm -111.33 115.82 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -90.02 136.47 33.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 1.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 115' ' ' LEU . . . -40.43 133.1 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 1.0 109.23 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -120.06 15.47 12.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.5 mttp -179.68 91.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 1.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.463 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 56.9 p -39.22 149.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.408 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . 179.04 -173.29 45.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 1.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.513 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 42.6 m -128.0 65.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 1.0 110.378 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.3 p 50.63 178.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 1.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -166.6 -48.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 167.93 133.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 1.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.452 HD11 ' CG1' ' A' ' 153' ' ' VAL . 2.3 mm -97.22 123.44 49.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 1.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -93.24 -44.13 8.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.556 HG12 ' CD2' ' A' ' 91' ' ' PHE . 10.3 p -86.79 144.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 1.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.92 168.04 11.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 1.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 59.5 p -76.68 90.09 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 1.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.1 -5.43 7.31 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 1.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -79.3 150.13 73.51 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 1.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.21 39.25 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.485 1.781 . . . . 1.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.466 HG13 ' CD2' ' A' ' 152' ' ' LEU . 12.4 m -140.54 157.39 24.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.6 mt-10 -133.04 154.71 50.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.611 1.194 . . . . 1.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.512 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 16.4 t80 -62.57 135.08 57.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.0 t70 83.16 -5.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.3 mm-40 -89.04 150.11 44.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 1.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.29 42.88 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.792 . . . . 1.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 146' ' ' VAL . 78.5 mt -124.57 -81.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.475 HG22 ' CZ ' ' A' ' 91' ' ' PHE . 83.4 t -123.44 152.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 1.0 109.233 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 23.5 t -113.43 120.37 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 1.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.2 mp -112.36 163.24 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.0 109.286 -179.92 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.9 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 1.0 110.327 179.916 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.417 ' NE2' HG21 ' A' ' 83' ' ' VAL . 2.6 t60 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.464 HG13 ' CG1' ' A' ' 154' ' ' VAL . 4.4 mp -95.04 119.36 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.448 ' CG2' HD22 ' A' ' 115' ' ' LEU . 55.0 t -72.9 117.29 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 1.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -113.05 124.71 53.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 1.143 . . . . 1.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.445 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 1.0 OUTLIER -49.27 105.96 0.57 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 1.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.69 8.61 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.419 1.747 . . . . 1.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.85 123.79 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.6 t -55.62 142.09 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 1.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.423 ' N ' HG23 ' A' ' 146' ' ' VAL . . . 162.11 -114.45 0.61 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 1.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.9 m -141.13 168.61 19.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 1.0 110.378 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.3 t80 -138.1 144.1 40.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 61.8 m-85 -139.0 154.82 48.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.6 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.7 mmm-85 -101.55 -14.08 17.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 1.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 42.7 p -134.97 155.46 79.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 1.0 110.406 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -25.33 11.86 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.779 . . . . 1.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.35 178.63 1.38 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 1.0 110.059 179.925 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.91 -46.44 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.798 . . . . 1.0 111.054 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -99.46 48.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.01 152.32 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 1.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -61.56 168.33 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 1.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -91.0 138.2 31.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 1.0 109.373 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.553 ' CE1' HG22 ' A' ' 114' ' ' THR . 19.4 m-85 -60.62 -39.55 88.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 1.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -147.1 101.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 1.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -91.17 135.86 33.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 1.0 110.263 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' GLU . 56.5 t -39.9 116.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.92 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.61 28.54 5.36 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 1.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.73 160.47 34.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 0.716 . . . . 1.0 110.258 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.421 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 0.6 OUTLIER -113.18 171.81 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.918 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.422 ' CG2' HD12 ' A' ' 115' ' ' LEU . 33.9 m -154.46 147.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.46 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.5 t-20 -121.81 147.71 45.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 1.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.35 109.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 1.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.66 -23.42 6.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 1.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 136.09 35.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.553 HG22 ' CE1' ' A' ' 102' ' ' PHE . 95.4 m -54.89 141.48 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 110.331 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 129' ' ' ALA . 1.9 tp -113.5 -31.9 6.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.571 1.17 . . . . 1.0 109.284 179.907 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.5 p 179.11 -173.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 108.276 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.429 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.8 mt -129.29 145.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.412 ' N ' HG21 ' A' ' 117' ' ' ILE . 6.8 t -125.98 126.5 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 1.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.27 140.49 34.44 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.52 1.137 . . . . 1.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -136.61 -176.27 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 109.353 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.5 ptm -37.91 94.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.474 1.109 . . . . 1.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 39.87 57.49 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 1.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.23 121.65 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttt -95.47 123.75 39.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.452 ' ND2' ' N ' ' A' ' 125' ' ' ASN . 0.9 OUTLIER -124.63 157.04 36.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.354 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -116.44 158.47 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.6 mm -115.64 116.44 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.362 1.039 . . . . 1.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 7.6 pt-20 -96.74 118.67 33.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 1.0 110.288 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 115' ' ' LEU . . . -40.49 133.01 2.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 1.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -118.28 10.5 12.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 1.0 109.334 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.1 mptp? -158.52 84.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 1.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 59.9 p -39.11 133.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.54 -172.57 43.05 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 1.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m -110.12 -174.42 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 1.0 110.34 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.04 143.0 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -124.94 -46.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.596 1.185 . . . . 1.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 163.42 132.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.6 ' CD1' ' CZ ' ' A' ' 93' ' ' ARG . 1.3 mt -102.68 134.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 1.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.85 -43.49 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 91' ' ' PHE . 7.4 p -68.13 155.23 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 1.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.1 147.12 37.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 1.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.2 t -60.29 91.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 1.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.06 -17.62 7.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 1.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.71 151.39 92.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 1.0 110.313 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.24 41.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 1.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.445 ' HB ' ' CB ' ' A' ' 85' ' ' SER . 2.3 m -124.14 158.89 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 0.3 OUTLIER -140.04 165.59 26.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 1.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 19.0 t80 -59.26 138.1 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 54.98 19.55 2.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 13.5 tm-20 -85.75 132.64 43.66 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.137 . . . . 1.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . 0.402 ' O ' ' OE1' ' A' ' 150' ' ' GLU . 18.0 Cg_endo -75.02 134.93 18.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 1.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.424 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 20.4 mt -110.19 -80.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 1.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.46 ' CG2' HG22 ' A' ' 138' ' ' ILE . 9.9 t -121.81 145.62 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 23.7 t -103.22 122.22 55.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -111.25 157.41 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.4 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.5 tt0 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 1.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.546 -0.538 . . . . 1.0 109.546 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.0 mp -148.21 117.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.248 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' CG2' HD12 ' A' ' 115' ' ' LEU . 74.7 t -74.84 116.86 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -108.61 121.23 44.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.78 103.96 0.37 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 1.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 1.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.93 133.23 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 18.2 t -66.02 147.46 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.85 -120.01 0.96 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 1.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.418 ' CA ' HG23 ' A' ' 146' ' ' VAL . 31.8 m -132.46 163.05 29.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.798 . . . . 1.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.609 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.6 t80 -134.68 136.41 42.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -129.97 154.11 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 1.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.418 ' NH1' HG22 ' A' ' 138' ' ' ILE . 10.8 mmm180 -103.64 -13.27 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.482 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 45.7 p -136.2 155.76 77.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 1.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.11 21.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.43 1.753 . . . . 1.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.492 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -158.34 177.27 2.17 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 1.0 109.986 -179.889 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 -41.18 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 1.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.47 19.98 19.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.457 ' HB1' ' CB ' ' A' ' 96' ' ' SER . . . -94.17 156.94 16.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 1.0 109.366 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -58.28 169.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.357 -179.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.482 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -95.86 134.6 38.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.645 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 26.5 m-85 -58.16 -38.31 76.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 1.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pt -146.87 105.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 1.0 109.399 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.59 123.44 30.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 1.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.5 t -40.41 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 1.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.82 12.25 19.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.146 . . . . 1.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.34 159.71 19.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 1.0 110.355 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 165.03 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 1.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.8 m -143.2 139.11 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' VAL . 9.7 p-10 -115.02 147.12 40.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.4 t -40.28 109.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 1.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.47 23.72 4.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 1.0 111.052 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.0 132.95 53.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 1.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.412 HG23 ' CD1' ' A' ' 102' ' ' PHE . 34.7 m -58.54 142.76 48.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 1.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.459 HD12 ' CG2' ' A' ' 83' ' ' VAL . 2.2 pp -112.5 -31.9 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 1.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.609 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.65 -176.19 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 108.335 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.645 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 20.4 mm -125.77 153.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 127' ' ' ILE . 23.3 t -132.5 124.98 52.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 1.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.21 137.23 38.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 1.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -131.75 -175.84 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.05 91.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 1.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 120' ' ' ALA . 1.6 ttpm? 46.2 47.55 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 1.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.42 114.16 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 1.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ttt -87.72 141.7 28.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 1.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -136.9 155.83 49.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 1.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -121.76 142.64 49.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 1.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.464 ' CD1' HG22 ' A' ' 118' ' ' VAL . 5.9 mt -105.58 116.05 48.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -99.5 128.19 45.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 1.0 110.261 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.27 133.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 1.0 109.253 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -109.8 14.55 23.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 1.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.0 tttm 179.93 98.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.362 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.0 m -39.17 143.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.42 -174.53 47.04 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.538 1.149 . . . . 1.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 31.7 m -115.2 158.37 22.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 0.762 . . . . 1.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.7 p -49.56 162.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 1.0 109.241 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 4.1 tmtt? -143.93 -50.53 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 1.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 173.85 132.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.418 HG22 ' NH1' ' A' ' 93' ' ' ARG . 0.4 OUTLIER -102.16 126.16 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 1.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -96.27 -44.65 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.386 1.054 . . . . 1.0 109.29 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 91' ' ' PHE . 7.2 p -72.57 160.23 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -122.14 139.42 53.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.2 p -49.0 101.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 1.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 120.36 -35.54 3.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.46 151.18 7.9 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 1.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 169.0 23.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 1.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.492 ' CG1' ' CD2' ' A' ' 152' ' ' LEU . 0.2 OUTLIER -136.7 157.04 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 1.0 109.236 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -136.23 159.69 40.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 110.351 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 29.0 t80 -66.11 127.18 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 1.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.9 t70 81.88 1.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -83.52 145.4 47.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 1.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.56 43.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 1.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.492 ' CD2' ' CG1' ' A' ' 146' ' ' VAL . 88.6 mt -127.16 -81.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 1.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.3 t -129.51 139.47 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 74.5 t -96.06 127.87 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.7 mp -113.13 163.78 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 1.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.8 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 1.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.7 t60 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.623 -0.51 . . . . 1.0 109.623 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.493 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 15.5 mm -140.83 121.98 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 1.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.75 116.34 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -112.9 124.39 52.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -49.6 106.14 0.59 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 0.49 8.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 1.0 111.069 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.04 129.75 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 1.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.15 138.15 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 1.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.04 -125.35 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.12 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.466 ' CA ' HG21 ' A' ' 146' ' ' VAL . 97.8 m -126.45 167.96 14.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 1.0 110.408 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 140' ' ' VAL . 3.1 t80 -139.6 135.59 33.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.076 . . . . 1.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -128.28 162.83 26.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 1.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.466 ' CZ ' HD11 ' A' ' 138' ' ' ILE . 21.7 mmm-85 -109.99 -13.9 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 1.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 8.5 p -127.69 155.55 76.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 1.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -139.25 178.59 1.57 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.98 153.41 41.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t70 62.06 22.3 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 1.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.2 152.45 29.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -71.97 164.28 26.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.41 1.069 . . . . 1.0 109.27 -179.914 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -75.68 132.86 40.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 1.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.514 ' CE1' HG22 ' A' ' 114' ' ' THR . 5.7 m-85 -45.5 -43.73 11.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 119.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 1.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -91.71 116.61 29.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 1.0 110.241 -179.985 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' GLU . 57.8 t -40.23 116.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.37 8.72 12.45 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.137 . . . . 1.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -114.74 171.15 7.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 1.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -110.13 158.81 17.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.1 m -137.4 137.93 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -119.08 147.33 44.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.24 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.36 109.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.84 -21.93 6.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 1.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.42 136.72 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.629 0.841 . . . . 1.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.514 HG22 ' CE1' ' A' ' 102' ' ' PHE . 98.4 m -62.14 150.81 37.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.464 ' CD1' ' HB1' ' A' ' 129' ' ' ALA . 0.3 OUTLIER -116.78 -38.8 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.404 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.5 p -179.93 -173.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 1.0 108.291 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.438 HG13 ' CE2' ' A' ' 102' ' ' PHE . 4.9 mt -126.61 160.42 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 1.0 109.318 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 127' ' ' ILE . 3.6 t -143.99 132.92 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 1.0 109.239 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.431 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.9 tt0 -91.76 128.48 37.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -167.98 168.2 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 1.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 15.1 ptt? 42.52 45.5 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.97 51.87 4.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.73 156.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.419 ' CG ' HG23 ' A' ' 117' ' ' ILE . 36.9 ttp -74.09 144.29 45.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 1.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -137.91 99.49 3.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -73.55 150.78 41.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 1.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -116.14 117.16 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 1.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -95.99 123.45 39.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.464 ' HB1' ' CD1' ' A' ' 115' ' ' LEU . . . -40.38 133.01 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.34 14.64 11.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 2.3 ttmm -163.2 84.64 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.473 1.108 . . . . 1.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' LYS . 53.4 p -39.2 141.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.12 -174.21 46.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 1.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 135' ' ' VAL . 28.5 m -114.29 147.41 39.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.803 . . . . 1.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.404 ' N ' HG21 ' A' ' 134' ' ' THR . 10.0 p -41.49 160.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -143.46 -49.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.71 132.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 1.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.466 HD11 ' CZ ' ' A' ' 93' ' ' ARG . 1.7 mt -100.21 120.05 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 1.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -89.08 -44.18 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.327 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 91' ' ' PHE . 12.9 p -81.61 159.95 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 1.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.55 176.61 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 1.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 88.8 p -78.12 97.94 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 1.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 123.82 -37.1 2.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.506 1.129 . . . . 1.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -46.5 150.29 1.22 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 1.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.08 10.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 1.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.531 ' CG1' ' CD2' ' A' ' 152' ' ' LEU . 0.5 OUTLIER -147.47 156.79 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 109.224 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -139.83 161.02 38.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 1.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.447 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 29.8 t80 -62.39 126.87 28.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.467 1.104 . . . . 1.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.2 t70 78.72 13.15 1.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -92.78 135.15 26.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 1.0 110.267 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 141.03 26.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.601 1.843 . . . . 1.0 111.006 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.531 ' CD2' ' CG1' ' A' ' 146' ' ' VAL . 49.7 mt -113.68 -75.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.465 ' CG2' HG21 ' A' ' 138' ' ' ILE . 10.6 t -126.46 146.58 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.493 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 68.8 t -106.33 126.03 62.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.507 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.2 mt -110.37 164.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.507 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 14.0 tt0 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 1.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.596 ' CE1' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 . . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.542 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 7.4 mm -93.29 123.15 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.232 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.534 HG21 ' CE1' ' A' ' 81' ' ' HIS . 57.4 t -84.23 116.36 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 1.0 109.266 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -107.45 123.04 47.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.49 105.82 0.53 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 110.021 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.64 8.63 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 1.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.406 ' CG ' HG13 ' A' ' 118' ' ' VAL . 11.9 ptp -156.25 122.03 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 1.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.401 HG21 ' N ' ' A' ' 148' ' ' PHE . 10.7 t -60.31 146.55 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.4 -119.2 0.97 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.567 1.167 . . . . 1.0 111.04 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.424 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 26.1 m -128.34 168.62 15.28 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 0.79 . . . . 1.0 110.403 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.5 t80 -140.76 141.84 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 1.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 62.4 m-85 -135.13 156.71 48.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 1.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.8 mmm-85 -103.32 -13.8 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 1.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 71.2 p -132.12 155.51 81.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 1.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -26.4 11.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 1.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.483 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -148.02 177.44 1.79 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.0 109.995 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.97 -45.87 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.411 1.742 . . . . 1.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.13 33.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 1.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -118.57 151.3 38.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -66.94 166.97 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.294 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -81.31 133.24 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.526 ' CD1' HG23 ' A' ' 114' ' ' THR . 13.0 m-85 -53.93 -40.33 66.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 1.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 109' ' ' VAL . 41.7 mm -133.12 131.14 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 66.8 tt0 -107.5 116.85 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 1.0 110.22 -179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' GLU . 61.6 t -40.04 116.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.71 26.18 5.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 1.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -134.49 157.37 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 1.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -99.11 169.85 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 103' ' ' ILE . 18.0 m -151.28 147.71 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 111' ' ' VAL . 41.7 t30 -129.03 146.01 51.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -39.68 108.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 1.0 109.374 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.24 -14.76 5.37 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 1.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.78 132.7 42.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.459 0.74 . . . . 1.0 109.35 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.526 HG23 ' CD1' ' A' ' 102' ' ' PHE . 88.4 m -56.1 141.86 38.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 110.369 -179.903 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -110.22 -33.78 6.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 1.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 p 173.31 -173.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 1.0 108.354 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 118' ' ' VAL . 3.7 mt -125.55 158.08 34.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.413 ' N ' HG21 ' A' ' 117' ' ' ILE . 52.3 t -143.08 125.17 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 109.236 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.8 tt0 -83.55 125.61 31.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.604 1.19 . . . . 1.0 110.306 179.899 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.484 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -172.09 175.88 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 1.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.484 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 24.0 ptm 42.31 46.7 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.43 51.8 2.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.35 170.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 1.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.26 132.62 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -122.83 95.29 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 1.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -72.02 154.94 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 1.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.8 mm -116.62 116.22 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 1.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' ALA . 10.2 tt0 -93.37 98.37 11.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 130' ' ' ASP . . . 37.84 -142.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 1.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.596 ' OD2' ' CE1' ' A' ' 81' ' ' HIS . 1.8 t0 154.52 -23.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 1.0 109.362 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 81' ' ' HIS . 5.6 tttm -170.64 95.03 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 131' ' ' LYS . 32.8 t -38.15 138.09 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.975 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 172.07 -172.65 44.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 1.0 110.977 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 15.2 m -112.57 166.16 11.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 1.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.9 165.28 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.4 OUTLIER -149.75 -46.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 163.77 132.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.64 132.01 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.36 -44.03 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 91' ' ' PHE . 8.8 p -74.77 146.71 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 1.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.442 ' OE2' ' NE2' ' A' ' 144' ' ' GLN . 0.8 OUTLIER -101.56 160.1 14.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.0 110.255 -179.915 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 81.8 p -71.89 97.24 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 114.68 -5.47 22.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 1.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.442 ' NE2' ' OE2' ' A' ' 141' ' ' GLU . 0.0 OUTLIER -78.35 151.0 77.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 1.0 110.327 179.898 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 157.96 42.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 1.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.464 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.0 m -138.73 158.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -125.99 160.37 30.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 1.0 110.354 179.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 25.7 t80 -65.71 130.19 42.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 1.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.9 t70 82.91 -5.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.57 144.9 53.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 155.4 43.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.47 1.774 . . . . 1.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 146' ' ' VAL . 26.2 mt -127.88 -77.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.5 t -118.83 143.4 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 1.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.542 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 44.0 t -101.49 121.19 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.4 mt -112.82 163.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.409 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 1.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 mp -94.06 116.33 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 152' ' ' LEU . 72.7 t -81.67 116.9 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -104.71 122.67 46.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 1.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.415 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -38.67 99.26 0.19 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.01 0.26 9.12 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.535 1.808 . . . . 1.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.5 tpp -158.71 111.44 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 1.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.6 138.86 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.25 -120.51 1.0 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.442 1.089 . . . . 1.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.43 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 94.8 m -125.24 168.83 12.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 1.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 140' ' ' VAL . 9.0 t80 -137.87 140.12 40.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 1.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.3 m-85 -135.33 146.86 48.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 1.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -95.08 -13.87 24.75 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.534 1.146 . . . . 1.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.3 p -130.37 156.59 79.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 1.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -48.18 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 1.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.52 179.08 1.25 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 110.013 179.977 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 149.94 37.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 71.72 6.5 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 1.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 100' ' ' LYS . . . -104.29 136.43 43.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.263 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -51.86 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 1.0 109.226 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.87 132.61 43.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 114' ' ' THR . 11.0 m-85 -49.03 -40.64 31.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.448 ' CD1' HG12 ' A' ' 109' ' ' VAL . 6.4 tp -128.34 92.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 1.0 109.262 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.29 112.31 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.244 -179.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.6 t -40.33 116.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 108.19 12.12 22.52 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 1.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -116.47 166.06 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 1.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.89 162.42 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 103' ' ' ILE . 34.5 m -141.78 136.86 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.7 t-20 -117.01 149.21 40.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.31 109.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.75 -27.71 4.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.14 . . . . 1.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.18 138.78 38.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 0.768 . . . . 1.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.571 HG22 ' CE1' ' A' ' 102' ' ' PHE . 59.5 m -56.51 165.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 1.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 129' ' ' ALA . 0.2 OUTLIER -127.33 -43.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.571 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -178.64 -158.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 108.362 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.521 ' CG2' ' CE ' ' A' ' 124' ' ' MET . 4.6 mt -143.54 152.53 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.4 t -136.18 127.99 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.216 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.2 tt0 -88.39 128.61 35.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 1.0 110.294 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -171.04 167.24 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 4.2 ptm 42.64 45.01 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.6 51.84 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.59 155.47 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 1.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.521 ' CE ' ' CG2' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -89.29 131.83 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 1.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -124.83 108.77 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 1.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -77.18 150.27 35.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 1.0 110.268 -179.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.4 mt -109.49 117.23 54.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 1.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -94.19 124.57 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 115' ' ' LEU . . . -41.89 137.19 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 1.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.6 16.27 7.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 1.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -168.75 85.54 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 12.0 m -39.22 132.94 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 1.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.99 -173.3 39.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 1.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 94.4 m -116.6 155.27 29.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 1.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.3 p -47.91 160.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 1.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.52 ' CE ' ' CG1' ' A' ' 154' ' ' VAL . 1.8 ttpp -145.07 -47.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 1.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 173.0 133.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.347 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -104.97 118.2 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -86.5 -44.36 12.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 91' ' ' PHE . 14.1 p -81.49 151.78 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 1.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -107.94 174.17 6.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 1.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.429 ' N ' ' OE1' ' A' ' 141' ' ' GLU . 11.3 t -79.13 92.52 5.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 1.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.05 -21.71 6.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 1.0 110.983 179.925 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 150.2 84.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.514 0.773 . . . . 1.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 170.16 21.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.42 1.748 . . . . 1.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.469 HG13 ' CD2' ' A' ' 152' ' ' LEU . 35.8 m -148.93 158.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -139.47 160.93 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.516 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 9.9 t80 -63.21 133.97 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 1.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.56 -6.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 1.0 109.266 179.973 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.12 142.61 36.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 158.18 42.67 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.515 1.797 . . . . 1.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.469 ' CD2' HG13 ' A' ' 146' ' ' VAL . 81.3 mt -125.09 -81.91 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.588 1.18 . . . . 1.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.1 t -126.74 139.0 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.52 ' CG1' ' CE ' ' A' ' 136' ' ' LYS . 48.0 t -98.58 125.32 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.8 mp -115.7 163.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 26.5 tt0 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 1.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.45 ' HB3' ' CE ' ' A' ' 131' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 . . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.0 mp -138.88 116.04 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.407 ' CG2' HD22 ' A' ' 115' ' ' LEU . 38.8 t -77.32 117.89 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.076 . . . . 1.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -107.96 127.0 53.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 1.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.2 OUTLIER -42.53 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 1.0 109.978 -179.985 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 0.59 8.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.782 . . . . 1.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -168.38 126.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 1.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.7 t -58.18 139.06 18.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 1.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.14 -127.42 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.8 m -126.37 162.91 24.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 1.0 110.391 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.589 ' CD2' HG12 ' A' ' 140' ' ' VAL . 3.1 t80 -133.94 134.32 42.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 1.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 53.6 m-85 -127.68 151.59 48.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 1.0 111.082 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.42 ' NH2' HG13 ' A' ' 138' ' ' ILE . 28.6 mmm-85 -99.35 -13.6 19.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 1.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 30.9 p -135.98 155.6 77.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 1.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -28.99 8.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.527 1.804 . . . . 1.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.4 178.7 1.35 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.992 -179.981 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.05 -40.11 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.455 1.766 . . . . 1.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.27 36.35 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -120.42 152.53 37.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 1.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -68.28 168.36 12.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -80.71 133.09 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.652 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 15.9 m-85 -53.41 -39.96 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 tt -129.36 119.83 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 28.8 tt0 -93.38 109.19 20.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 110.359 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . 54.3 t -40.23 115.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.69 31.69 5.67 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.442 1.089 . . . . 1.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.84 165.63 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 0.72 . . . . 1.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 118.74 37.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.08 . . . . 1.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.7 m -114.98 137.05 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 1.0 109.351 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 4.7 p30 -118.52 146.79 44.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.23 109.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 1.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.44 -11.49 6.06 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.73 136.68 34.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 1.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 22.0 m -57.91 143.58 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 110.349 -179.974 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.41 ' CD1' ' HB1' ' A' ' 129' ' ' ALA . 2.1 tp -112.02 -30.85 7.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.513 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 23.8 p 177.91 -169.9 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 1.0 108.233 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.652 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 24.8 mm -129.03 154.59 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 -179.931 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.467 ' CG2' HD13 ' A' ' 127' ' ' ILE . 41.5 t -134.18 127.28 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -101.58 135.53 42.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 1.0 110.351 179.941 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -130.43 -175.86 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.18 91.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 1.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 44.35 47.98 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.58 114.09 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 110.985 179.906 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.3 ttt -83.78 143.39 30.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 1.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -138.93 155.05 48.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.76 144.66 49.03 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.489 1.118 . . . . 1.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 118' ' ' VAL . 1.4 mt -104.42 116.84 48.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 1.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -101.1 113.23 26.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 115' ' ' LEU . . . -40.42 132.87 1.99 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -114.83 13.62 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 1.0 109.275 -179.934 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.45 ' CE ' ' HB3' ' A' ' 81' ' ' HIS . 8.0 pttm -165.65 97.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 131' ' ' LYS . 2.0 m -39.06 154.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 1.0 110.008 179.919 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.8 -172.91 41.04 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 1.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.519 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 4.0 m -135.36 58.69 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 1.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.8 p 50.56 177.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.47 1.106 . . . . 1.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.422 ' HG3' ' CB ' ' A' ' 156' ' ' GLU . 4.9 tttt -166.0 -50.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.08 132.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 1.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.461 HG22 ' CG2' ' A' ' 153' ' ' VAL . 1.3 mm -98.28 135.02 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.16 -44.54 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.589 HG12 ' CD2' ' A' ' 91' ' ' PHE . 10.5 p -80.64 148.94 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.6 164.14 12.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 1.0 110.339 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.26 103.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.037 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.99 -29.52 7.68 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 1.0 110.993 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -52.32 140.7 33.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 1.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 160.48 40.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 1.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 152' ' ' LEU . 2.1 m -139.9 159.49 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.371 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.474 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.1 tt0 -131.53 161.63 32.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 21.9 t80 -64.52 130.94 45.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 1.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.2 t70 83.97 0.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 1.0 109.348 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.474 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 10.8 mm-40 -90.0 149.93 42.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 1.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 158.67 42.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.56 1.821 . . . . 1.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 98.3 mt -131.64 -81.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 1.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 138' ' ' ILE . 79.3 t -124.69 151.43 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.94 124.32 71.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 5.2 mp -116.15 167.1 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 1.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.448 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 6.7 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 110.367 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.566 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.651 -0.5 . . . . 1.0 109.651 . . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.517 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 7.7 mm -96.18 123.41 48.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 1.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 81' ' ' HIS . 47.8 t -85.93 116.4 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 1.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -118.18 123.66 46.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 1.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.459 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -51.86 107.25 0.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.7 8.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 1.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.5 tpp -163.56 125.02 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 146' ' ' VAL . 17.7 t -46.85 150.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 1.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.424 ' N ' HG23 ' A' ' 146' ' ' VAL . . . 161.06 -134.51 3.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.518 HG23 ' CZ ' ' A' ' 92' ' ' TYR . 52.5 m -138.66 126.0 21.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 1.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.605 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 6.0 t80 -89.26 135.0 33.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 1.0 111.056 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 42.2 m-85 -133.37 142.62 48.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 103' ' ' ILE . 10.3 mmm180 -91.0 -16.03 28.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.4 p -129.75 156.36 78.98 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.533 1.146 . . . . 1.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.97 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 1.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.59 179.09 1.25 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 1.0 109.995 -179.952 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.99 150.93 38.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.476 1.777 . . . . 1.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 t0 70.49 7.61 6.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 1.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 100' ' ' LYS . . . -105.27 136.74 44.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 1.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -51.87 -176.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.58 132.47 43.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 1.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 114' ' ' THR . 6.1 m-85 -47.79 -42.78 26.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 1.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 115' ' ' LEU . 4.8 pt -131.92 120.97 45.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 1.0 109.377 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -99.27 118.0 34.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.9 t -40.29 116.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.04 15.89 9.56 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.52 1.137 . . . . 1.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -121.89 159.92 25.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 1.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.45 163.37 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 m -141.83 131.29 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -117.22 150.04 39.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 1.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.6 t -40.59 111.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.38 16.96 6.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.442 1.089 . . . . 1.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.12 133.65 55.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 102' ' ' PHE . 88.8 m -63.36 141.74 58.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 1.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.523 ' CD2' ' CD1' ' A' ' 155' ' ' ILE . 1.5 tp -113.69 -31.53 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 1.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.605 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 30.8 p -178.99 -164.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 1.0 108.324 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.459 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.6 mt -137.94 153.22 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 1.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.54 117.33 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 1.0 109.244 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -99.02 131.31 45.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 1.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.458 ' O ' ' CG ' ' A' ' 123' ' ' MET . . . -163.98 160.61 22.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 52.89 19.36 1.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 1.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.23 42.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 1.0 109.238 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -156.86 150.78 24.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ptp -91.49 141.46 28.71 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 1.108 . . . . 1.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -139.48 99.74 3.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 1.0 109.307 -179.96 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.471 ' HG3' ' CG2' ' A' ' 114' ' ' THR . 26.6 tt0 -63.56 146.46 53.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 1.0 110.226 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.6 mm -108.74 115.89 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 1.0 109.237 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -91.25 132.07 36.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 1.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.01 133.17 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -117.63 15.89 14.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 81' ' ' HIS . 11.1 tmtt? -174.71 85.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 42.9 t -39.39 137.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.29 -173.31 45.34 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.0 m -113.8 148.88 35.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 0.731 . . . . 1.0 110.44 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.4 p -40.52 157.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -142.58 -47.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 1.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 170.98 133.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 1.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.35 121.38 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 1.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -90.93 -44.25 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.25 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.573 HG12 ' CD1' ' A' ' 91' ' ' PHE . 12.0 p -74.79 152.8 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 1.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -115.44 130.35 56.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 1.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.8 t -38.99 96.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 1.0 110.108 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.528 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.99 -40.86 1.61 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.47 1.107 . . . . 1.0 111.034 -179.897 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 141' ' ' GLU . 76.2 mt-30 -47.37 148.1 2.46 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.466 0.745 . . . . 1.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.73 12.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.497 1.788 . . . . 1.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 85' ' ' SER . 2.3 m -139.75 158.74 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 1.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -136.98 172.38 13.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 1.0 110.307 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 27.3 t80 -69.62 113.91 7.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 1.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.1 t70 82.94 9.66 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.42 148.9 74.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 1.0 110.2 -179.91 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 154.27 42.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 1.0 111.05 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.417 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 96.6 mt -134.21 -81.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 1.0 109.391 179.955 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.466 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 11.3 t -129.19 152.6 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 1.0 109.378 179.91 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.517 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 57.6 t -111.02 132.89 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.523 ' CD1' ' CD2' ' A' ' 115' ' ' LEU . 5.2 mt -124.67 164.1 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.5 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.67 133.24 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.6 t -91.6 141.44 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 1.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -120.95 123.74 43.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 1.0 110.29 -179.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -41.72 101.47 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 1.0 110.011 -179.961 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 0.34 9.03 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.427 1.751 . . . . 1.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.468 ' CG ' HG12 ' A' ' 118' ' ' VAL . 11.1 ptm -156.5 126.75 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 1.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.41 138.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.88 -122.94 1.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.559 1.162 . . . . 1.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.428 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 52.9 m -126.3 168.78 13.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 0.815 . . . . 1.0 110.438 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.3 t80 -136.74 141.26 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 1.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.555 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.8 m-85 -136.28 150.9 49.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 1.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.548 ' NH1' ' CG2' ' A' ' 103' ' ' ILE . 12.4 mmm180 -98.35 -13.73 20.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 1.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 23.6 p -136.3 155.69 77.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 1.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.418 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.5 Cg_endo -74.98 -51.98 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.761 . . . . 1.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.52 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -137.01 178.76 1.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 110.052 -179.986 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 151.14 39.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 1.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 65.04 12.27 7.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 1.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.94 145.87 28.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 1.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 168.68 1.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -93.81 133.12 37.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 1.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CZ ' HD12 ' A' ' 117' ' ' ILE . 29.1 m-85 -54.96 -37.94 67.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.548 ' CG2' ' NH1' ' A' ' 93' ' ' ARG . 19.9 tt -130.18 101.82 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -90.17 115.51 27.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 1.0 110.367 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.457 ' CG2' HD12 ' A' ' 138' ' ' ILE . 89.6 t -40.69 116.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 1.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.61 22.28 8.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 1.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.78 157.93 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 1.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -106.24 153.47 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.17 134.52 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 15.4 p30 -117.75 151.0 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.489 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.07 109.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.17 -31.69 3.98 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.538 1.149 . . . . 1.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 129' ' ' ALA . 0.5 OUTLIER -74.77 137.37 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 1.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.544 ' CG2' ' CD1' ' A' ' 102' ' ' PHE . 89.8 m -54.95 175.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 110.395 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.6 tp -136.76 -46.42 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 1.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.586 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -177.96 -157.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 108.28 179.93 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.566 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 3.7 mt -141.34 155.49 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.468 HG12 ' CG ' ' A' ' 87' ' ' MET . 6.8 t -141.2 130.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.428 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.2 tt0 -88.5 134.63 33.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -176.2 169.45 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.602 1.189 . . . . 1.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.493 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 17.7 ptp 42.52 46.29 4.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 1.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.3 tttp 41.36 51.78 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 1.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.0 156.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -77.52 143.2 38.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 1.0 111.022 179.904 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -135.5 99.45 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.358 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -67.52 154.7 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.7 mm -117.83 115.82 49.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.367 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.98 139.48 31.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 1.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 113' ' ' ASP . . . -58.22 133.16 55.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -122.88 16.22 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 1.0 109.237 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.68 91.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.555 1.159 . . . . 1.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 79.3 p -39.19 134.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 1.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.42 -172.79 33.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.44 1.088 . . . . 1.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 27.6 m -127.78 146.97 50.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 1.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.46 ' HA ' ' CD1' ' A' ' 155' ' ' ILE . 11.7 p -42.0 161.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -151.73 -46.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 170.9 132.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 105' ' ' VAL . 0.6 OUTLIER -104.47 130.4 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.67 -46.06 5.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 1.0 109.284 -179.925 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.565 HG11 ' CE1' ' A' ' 91' ' ' PHE . 13.9 p -80.73 138.11 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 1.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -99.03 178.38 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 110.219 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.5 p -78.08 93.5 4.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 1.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.555 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.17 -31.52 3.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 1.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.93 148.76 13.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 1.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 1.0 110.974 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.434 HG13 ' CD2' ' A' ' 152' ' ' LEU . 20.8 m -151.63 157.98 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 1.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.458 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 0.0 OUTLIER -148.62 156.37 42.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 1.0 110.319 179.917 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 11.3 t80 -59.85 137.64 58.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.45 -5.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.226 179.962 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.458 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 40.1 mm-40 -90.2 146.03 34.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 1.0 110.29 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 156.7 42.82 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 1.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 26.2 mt -123.04 -81.75 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 48.4 t -124.44 137.72 56.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 1.0 109.296 -179.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 57.4 t -95.0 116.48 36.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 1.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 11.2 mm -107.43 163.69 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.371 179.924 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.493 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.8 tt0 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.191 . . . . 1.0 110.322 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.48 ' N ' ' ND1' ' A' ' 81' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 . . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.464 HG13 ' CG1' ' A' ' 154' ' ' VAL . 2.8 mp -85.86 116.05 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -87.8 122.89 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 1.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' SER . 49.5 mtt180 -98.43 132.2 44.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 1.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' ARG . 8.8 p -38.45 103.32 0.27 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 1.0 110.036 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.27 9.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 1.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 131.18 6.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.579 1.174 . . . . 1.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.16 139.33 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.313 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.72 -117.51 0.82 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 1.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.424 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 73.7 m -129.18 167.82 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 1.0 110.404 -179.932 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 140' ' ' VAL . 2.9 t80 -137.56 137.99 39.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -129.46 155.95 44.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 1.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -103.25 -13.59 16.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 29.0 p -126.82 155.56 75.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 1.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.2 4.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.557 1.82 . . . . 1.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.87 172.34 7.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 109.985 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.72 14.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.468 1.773 . . . . 1.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -121.65 63.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 1.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -153.12 146.95 25.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 1.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.97 167.94 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 1.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -69.75 132.39 46.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.567 ' CE1' HG22 ' A' ' 114' ' ' THR . 3.1 m-85 -40.4 -45.46 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 1.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 104' ' ' GLU . 1.2 mp -130.19 163.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 1.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.503 ' N ' ' CG2' ' A' ' 103' ' ' ILE . 20.6 pt-20 -123.85 115.21 20.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.604 1.19 . . . . 1.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.402 ' CG2' HD12 ' A' ' 138' ' ' ILE . 62.9 t -40.24 115.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 1.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.53 25.55 5.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.551 1.157 . . . . 1.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.53 164.02 15.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 0.753 . . . . 1.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.462 ' HG3' ' CG2' ' A' ' 134' ' ' THR . 1.9 mptp? -101.73 114.79 29.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 1.0 109.232 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.9 m -107.7 136.91 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 1.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -129.63 152.47 49.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.2 t -40.36 109.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 1.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.04 -23.83 4.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.088 . . . . 1.0 111.02 -179.941 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.91 136.98 32.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 0.803 . . . . 1.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 102' ' ' PHE . 92.2 m -59.2 174.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.5 tp -136.14 -46.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.309 -179.946 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.4 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.4 p -178.5 -173.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 108.301 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 118' ' ' VAL . 3.3 mt -125.51 161.57 29.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 1.0 109.227 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.418 ' N ' HG21 ' A' ' 117' ' ' ILE . 40.2 t -144.33 124.6 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 1.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 2.6 tt0 -82.08 126.87 32.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -173.1 170.83 4.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 1.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 22.9 ptm 42.45 46.15 4.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? 40.84 51.75 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 1.0 109.292 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -176.02 161.0 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 1.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.03 127.81 36.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -115.79 124.86 51.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -88.53 145.58 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 1.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.8 mt -114.58 115.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.25 138.86 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.88 133.14 5.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -113.14 14.65 19.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 1.0 109.253 -179.923 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.34 105.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.353 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 45.6 t -39.29 154.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 1.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -177.34 -172.58 42.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.504 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 1.8 p -134.07 55.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 1.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 134' ' ' THR . 5.8 p 50.49 179.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -163.41 -49.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 166.86 133.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.465 ' CG1' HG12 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -97.38 132.99 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 1.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.24 -43.93 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 1.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.568 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 14.9 p -68.86 156.17 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.629 1.206 . . . . 1.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -110.49 155.84 21.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 1.0 110.231 -179.945 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.9 p -70.44 93.64 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 1.0 109.986 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.408 ' O ' ' CG2' ' A' ' 90' ' ' THR . . . 122.44 -22.84 7.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 1.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.27 151.64 81.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.749 . . . . 1.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 163.57 35.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 1.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 18.8 m -143.1 157.34 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 1.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 149' ' ' ASP . 2.1 tt0 -139.92 138.85 35.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 1.0 110.291 -179.919 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.572 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 2.6 t80 -50.53 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 1.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 1.1 p30 150.65 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 1.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.442 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 9.0 mm-40 -64.39 141.42 98.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.05 41.36 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.49 1.784 . . . . 1.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.503 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 94.9 mt -105.3 -78.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.465 HG12 ' CG1' ' A' ' 138' ' ' ILE . 3.5 t -130.44 139.81 50.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 82' ' ' ILE . 6.3 t -96.94 127.14 49.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.471 ' CG2' ' HA3' ' A' ' 133' ' ' GLY . 4.5 mp -110.25 163.4 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.439 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 1.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.481 ' CB ' ' NZ ' ' A' ' 131' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.626 -0.509 . . . . 1.0 109.626 . . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.474 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 18.3 mm -140.91 115.92 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 1.0 109.373 179.912 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 152' ' ' LEU . 63.5 t -79.23 116.43 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 1.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -113.72 121.86 45.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.417 ' CA ' HD13 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -52.7 107.67 0.9 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.383 1.052 . . . . 1.0 109.945 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.55 8.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 1.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.16 128.25 9.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 1.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 89' ' ' GLY . 43.6 t -60.07 151.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.419 ' N ' HG11 ' A' ' 88' ' ' VAL . . . 153.35 -113.7 0.59 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.514 1.134 . . . . 1.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 91' ' ' PHE . 24.2 m -146.81 162.6 38.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 1.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.599 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.4 t80 -126.99 138.12 53.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 1.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.566 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 47.9 m-85 -134.32 148.18 50.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 1.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' A' ' 142' ' ' SER . 11.6 mmm-85 -94.81 -17.48 22.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 1.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 45.8 p -136.44 155.51 77.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 1.0 110.33 -179.921 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.4 Cg_endo -74.97 -10.89 21.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.599 1.841 . . . . 1.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -163.84 173.96 3.72 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 1.0 109.949 -179.995 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 -35.07 3.37 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.423 1.749 . . . . 1.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.92 34.04 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -119.04 152.79 35.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 1.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -54.51 179.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 1.0 109.226 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -108.44 134.9 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.682 ' CD1' ' CG2' ' A' ' 114' ' ' THR . 41.3 m-85 -65.52 -35.83 82.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 1.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.8 tt -140.07 104.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 1.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -94.82 117.55 30.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 1.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.27 116.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.52 21.7 7.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.102 . . . . 1.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.07 160.24 33.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 1.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 160.33 15.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.7 m -138.99 144.58 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 5.2 m120 -117.6 145.09 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 1.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.2 t -40.05 108.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 1.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.03 -11.24 10.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 1.0 111.06 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.39 138.55 31.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 1.0 109.363 179.924 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.682 ' CG2' ' CD1' ' A' ' 102' ' ' PHE . 62.0 m -61.81 142.77 57.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 110.34 -179.917 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.47 HD22 ' CG2' ' A' ' 127' ' ' ILE . 1.7 pp -112.52 -32.88 6.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 1.0 109.226 -179.934 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 14.7 p -178.88 -157.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 1.0 108.289 -179.954 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.579 ' CD1' ' CE2' ' A' ' 102' ' ' PHE . 4.0 mm -137.9 160.41 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 1.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.4 t -143.04 116.9 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -86.35 126.16 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -165.75 162.42 18.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 1.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 48.23 34.6 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.96 47.02 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.6 mtt -164.8 153.03 12.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 126' ' ' GLN . 2.5 ttm -78.96 128.23 33.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -122.29 94.55 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.446 ' NE2' ' SD ' ' A' ' 124' ' ' MET . 1.5 mt-30 -65.34 147.54 53.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.47 ' CG2' HD22 ' A' ' 115' ' ' LEU . 5.0 mm -109.49 116.17 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.65 125.84 41.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.063 . . . . 1.0 110.278 -179.928 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.42 ' N ' HD21 ' A' ' 115' ' ' LEU . . . -51.63 133.07 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 1.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -115.65 14.47 16.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 1.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.481 ' NZ ' ' CB ' ' A' ' 81' ' ' HIS . 9.2 pttp -163.19 87.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 7.8 m -39.3 134.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 1.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.18 -173.27 40.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 1.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 t -119.23 149.3 41.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 0.726 . . . . 1.0 110.472 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.5 p -40.31 157.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.66 -47.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.26 132.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 109.264 179.95 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 1.8 mt -103.02 134.84 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 1.0 109.269 179.974 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.07 -46.12 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.571 HG12 ' CE1' ' A' ' 91' ' ' PHE . 13.0 p -67.65 149.0 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 1.0 109.372 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 142' ' ' SER . 5.6 tt0 -113.36 121.09 43.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 1.0 110.347 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.466 ' HB3' ' CG ' ' A' ' 93' ' ' ARG . 15.8 p -39.28 101.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 1.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.43 -35.68 2.75 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.472 1.107 . . . . 1.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -58.63 151.53 51.35 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.545 0.791 . . . . 1.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 162.9 36.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 1.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 90' ' ' THR . 6.2 m -128.26 156.97 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 179.929 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.78 157.59 46.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.485 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 27.4 t80 -62.92 124.35 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 1.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.1 t70 81.5 13.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -95.47 142.1 24.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 161.29 38.81 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.476 1.777 . . . . 1.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' VAL . 71.5 mt -132.61 -81.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.285 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.6 t -122.6 147.57 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.474 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 61.9 t -104.19 130.22 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 1.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.1 mp -114.56 163.85 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 1.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.618 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 4.5 m-70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.583 -0.525 . . . . 1.0 109.583 . . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 18.6 mm -142.09 115.76 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 1.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 152' ' ' LEU . 58.3 t -86.32 116.33 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.137 . . . . 1.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -116.75 127.33 54.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 1.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.43 105.0 0.44 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 1.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.64 118.05 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 1.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.7 t -52.88 138.54 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 1.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.67 -118.97 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 1.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.8 m -134.33 164.36 27.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 1.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CE1' HG11 ' A' ' 140' ' ' VAL . 3.1 t80 -136.08 135.17 39.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.476 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 48.9 m-85 -125.41 155.23 40.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 1.0 111.015 179.927 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 5.8 mmm180 -102.88 -14.76 16.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 1.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 64.3 p -134.78 155.89 79.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 1.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.88 18.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 1.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -153.91 178.38 1.63 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.977 179.99 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.03 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.474 1.776 . . . . 1.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.23 23.7 4.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 1.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.46 160.06 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 109.336 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 165.41 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -81.62 134.88 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 1.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.698 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 14.8 m-85 -55.98 -40.13 72.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 1.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.446 ' O ' ' NH2' ' A' ' 93' ' ' ARG . 1.5 pp -135.6 115.55 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -90.75 114.58 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 1.0 110.235 -179.953 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' GLU . 54.8 t -40.09 116.13 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.43 15.39 12.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.383 1.052 . . . . 1.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.57 162.0 17.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 1.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.01 150.78 22.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.1 134.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 1.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.6 t-20 -117.8 146.55 43.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.492 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 109.359 -179.959 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.42 -13.13 8.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 1.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.28 137.24 32.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 0.793 . . . . 1.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.2 m -66.37 144.9 56.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 1.0 110.427 179.96 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.4 tp -111.42 -30.28 7.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.06 . . . . 1.0 109.366 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.436 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.3 p 172.49 -173.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 1.0 108.279 -179.962 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.698 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 7.0 mm -123.44 159.66 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 1.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 39.0 t -145.6 120.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -81.32 127.28 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -175.46 173.29 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 1.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.3 ptp 42.43 46.0 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 1.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.66 51.88 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 1.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.95 163.95 1.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.172 . . . . 1.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.465 ' CG ' ' O ' ' A' ' 124' ' ' MET . 2.2 ptt? -84.54 122.15 28.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 1.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -107.92 102.37 11.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -76.33 137.66 39.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 1.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.0 mm -100.5 116.99 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.302 -179.933 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -104.08 127.87 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.393 1.058 . . . . 1.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.71 133.13 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 1.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.59 18.37 18.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.618 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -178.81 95.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 1.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 3.3 m -39.4 141.62 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 1.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.9 -173.1 40.45 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.466 1.104 . . . . 1.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 60.9 p -118.1 144.47 45.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 1.0 110.364 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.0 p -40.84 159.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 1.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -141.9 -49.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 171.2 137.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 1.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -99.53 119.23 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -88.23 -43.84 11.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 1.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.565 HG11 ' CE1' ' A' ' 91' ' ' PHE . 14.4 p -80.12 166.71 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.494 ' CB ' ' NE2' ' A' ' 144' ' ' GLN . 0.2 OUTLIER -118.87 171.26 8.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 1.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -80.34 100.8 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 110.007 179.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.476 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 115.63 -32.75 5.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 1.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.494 ' NE2' ' CB ' ' A' ' 141' ' ' GLU . 0.0 OUTLIER -51.21 150.44 5.96 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.488 0.758 . . . . 1.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 165.06 32.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 1.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.471 HG13 ' CD2' ' A' ' 152' ' ' LEU . 33.7 m -142.5 158.13 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 9.0 mt-10 -133.61 165.78 24.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.411 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 35.5 t80 -63.2 134.13 55.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 1.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.9 t70 75.07 3.5 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 1.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.2 tp10 -83.81 136.47 41.76 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 151.73 39.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.491 1.785 . . . . 1.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 49.8 mt -121.68 -76.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.3 t -125.41 155.27 34.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 47.9 t -114.06 127.71 71.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.7 mp -112.34 163.82 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.465 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 1.0 110.344 -179.991 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 . . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.602 ' O ' ' CE1' ' A' ' 81' ' ' HIS . 47.7 mm -112.85 115.92 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.441 HG23 ' CD2' ' A' ' 115' ' ' LEU . 41.2 t -75.82 116.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 1.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.3 mtt-85 -115.63 127.46 55.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 1.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -55.1 108.79 1.27 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 110.0 -179.99 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 0.92 8.36 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.549 1.815 . . . . 1.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.37 127.53 6.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 89' ' ' GLY . 23.2 t -56.32 150.75 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.425 ' N ' HG23 ' A' ' 146' ' ' VAL . . . 154.58 -121.29 1.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 1.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.424 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 33.0 m -137.25 166.62 23.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 0.72 . . . . 1.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 140' ' ' VAL . 3.5 t80 -134.93 138.35 43.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 1.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 64.7 m-85 -135.71 149.55 49.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 -97.13 -13.79 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 55.3 p -134.39 155.4 79.81 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 1.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -26.94 10.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.436 1.756 . . . . 1.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.04 178.59 1.42 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 1.0 109.938 -179.957 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.94 -47.95 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.396 1.735 . . . . 1.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -99.4 40.66 1.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 1.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -120.51 150.9 40.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 1.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -57.93 171.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 1.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.455 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -95.11 134.56 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CD1' HG23 ' A' ' 114' ' ' THR . 16.5 m-85 -56.75 -39.75 74.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.453 1.095 . . . . 1.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 115' ' ' LEU . 6.2 mt -136.59 108.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 109.24 -179.945 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' VAL . 7.4 mt-10 -89.42 115.57 26.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' GLU . 55.3 t -39.59 115.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 1.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.65 16.16 8.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.575 1.172 . . . . 1.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -121.64 171.12 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 1.0 110.279 -179.946 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -113.53 159.69 19.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 1.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.42 150.6 22.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 109.257 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.436 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 7.2 p30 -126.63 145.88 50.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 1.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 1.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.32 -22.29 7.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 1.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 133.68 36.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.788 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.569 HG23 ' CD1' ' A' ' 102' ' ' PHE . 31.4 m -56.63 142.95 37.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 1.0 110.431 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.456 ' CD1' HD13 ' A' ' 103' ' ' ILE . 1.1 tp -112.52 -31.62 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 1.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.492 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.2 p 175.36 -172.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 1.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.433 HD12 ' CE2' ' A' ' 102' ' ' PHE . 4.2 mt -121.09 158.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.419 ' N ' HG21 ' A' ' 117' ' ' ILE . 43.2 t -139.14 121.51 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 1.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 2.9 tt0 -85.07 128.13 34.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -169.01 166.22 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.504 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.6 ptp 42.72 44.03 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.81 51.83 6.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 1.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.13 153.67 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.63 138.76 41.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 1.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -132.58 96.87 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.418 ' HG3' ' CG2' ' A' ' 114' ' ' THR . 29.0 tt0 -63.85 152.38 39.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 1.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.7 mm -116.67 115.83 50.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 1.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.07 125.63 36.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 1.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.94 133.0 38.22 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.544 1.153 . . . . 1.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -120.95 24.94 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 1.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 5.3 tttm -169.08 83.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 53.5 p -39.3 144.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 109.962 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 170.8 -177.9 43.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 1.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 88.3 m -107.55 174.91 5.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 0.724 . . . . 1.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.5 p -70.16 140.1 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 156' ' ' GLU . 4.4 tttt -121.99 -42.84 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 1.0 109.217 -179.928 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 164.63 136.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.463 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.03 132.55 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.458 ' CD2' HG22 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -101.78 -46.16 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.576 HG13 ' CE2' ' A' ' 91' ' ' PHE . 14.5 p -70.29 152.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 143' ' ' GLY . 32.6 tt0 -114.93 137.88 51.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 t -48.24 95.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 1.0 109.984 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.529 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.8 -32.0 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.581 1.175 . . . . 1.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.27 150.24 11.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 1.0 110.303 -179.947 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 168.46 24.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 1.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.425 HG23 ' N ' ' A' ' 89' ' ' GLY . 1.5 m -134.29 160.18 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -144.4 160.34 41.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 1.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.464 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 28.1 t80 -64.33 125.35 24.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 1.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 20.4 t0 80.06 11.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -92.6 143.69 27.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 1.0 110.36 179.972 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.94 34.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 1.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.48 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 83.5 mt -136.53 -80.6 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 1.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 138' ' ' ILE . 14.5 t -125.51 145.99 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 1.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.465 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 95.8 t -102.78 122.22 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.61 155.59 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 1.0 110.342 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.41 ' CG ' ' N ' ' A' ' 82' ' ' ILE . 24.7 t60 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 . . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.41 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 4.4 mp -136.93 123.78 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 1.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 152' ' ' LEU . 87.4 t -86.08 116.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 1.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 86' ' ' PRO . 6.8 mtt-85 -106.69 111.57 24.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 1.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.41 ' CB ' HD23 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -38.68 99.28 0.19 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.564 1.165 . . . . 1.0 110.02 179.968 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.0 Cg_endo -75.0 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.422 1.749 . . . . 1.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.78 114.73 5.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 1.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 147' ' ' GLU . 5.8 t -59.32 139.32 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 1.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.71 -120.51 0.98 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 1.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 50.5 m -126.05 167.54 15.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 0.722 . . . . 1.0 110.356 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.596 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.2 t80 -138.09 132.32 31.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 1.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.516 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.1 m-85 -125.36 151.61 45.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 1.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.461 ' CZ ' HG23 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -101.51 -14.18 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.398 1.061 . . . . 1.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 44.0 p -130.11 155.48 80.68 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.26 3.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.54 1.81 . . . . 1.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -127.57 175.47 3.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 1.0 109.989 -179.976 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -32.04 5.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 1.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -118.01 55.27 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.73 143.05 43.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 171.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 1.0 109.235 -179.903 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.452 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -89.08 133.03 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 114' ' ' THR . 7.1 m-85 -47.26 -43.09 21.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 1.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 tt -134.48 112.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 41.9 tt0 -86.22 117.68 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 1.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.415 ' CG2' HD12 ' A' ' 138' ' ' ILE . 89.4 t -40.32 116.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 1.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.72 11.36 12.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 1.0 111.053 179.998 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -118.12 169.53 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 1.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 54.5 tttt -109.48 167.54 10.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.095 . . . . 1.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.415 ' N ' ' CG ' ' A' ' 108' ' ' LYS . 12.6 m -141.82 135.8 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 1.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -116.26 142.92 46.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.36 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 1.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.31 -17.87 6.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 1.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.87 143.83 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 1.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 102' ' ' PHE . 68.9 m -64.9 152.38 43.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 1.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.426 ' CD2' HD12 ' A' ' 155' ' ' ILE . 1.8 tp -117.74 -40.27 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 1.0 109.314 -179.922 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.596 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.63 -166.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 1.0 108.284 179.952 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.444 HG23 ' CG ' ' A' ' 124' ' ' MET . 4.4 mt -137.16 156.49 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 1.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.469 ' CG2' HD12 ' A' ' 127' ' ' ILE . 17.6 t -138.1 132.64 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 1.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -95.41 132.28 40.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 1.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -171.84 167.1 6.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 1.0 109.285 179.924 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 121' ' ' MET . . . . . 0.5 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 24.6 ptm 42.82 44.15 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 1.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? 43.48 51.83 6.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 1.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.2 mtm -171.06 155.74 4.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.444 ' CG ' HG23 ' A' ' 117' ' ' ILE . 4.5 ttm -84.33 141.29 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -135.54 103.25 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -73.77 156.02 38.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 1.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 118' ' ' VAL . 2.3 mt -119.1 116.37 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.78 121.03 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.42 133.0 1.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.28 14.38 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.5 OUTLIER -161.34 82.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 1.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 131' ' ' LYS . 49.2 p -39.19 138.76 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 178.25 -173.26 45.75 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.479 1.112 . . . . 1.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 18.5 m -116.57 151.14 36.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.785 . . . . 1.0 110.447 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.7 p -41.87 162.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 109.371 179.968 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -146.22 -48.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.65 133.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 1.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.46 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.73 129.8 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 1.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.38 -45.64 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 1.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 91' ' ' PHE . 7.9 p -91.02 140.57 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.12 -179.1 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 1.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.3 t -77.09 97.54 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.02 -35.44 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 1.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.402 ' CB ' HG21 ' A' ' 140' ' ' VAL . 15.6 mt-30 -47.77 150.55 1.84 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 1.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 145' ' ' PRO . . . . . 0.404 ' O ' ' CG1' ' A' ' 146' ' ' VAL . 18.3 Cg_endo -75.01 178.27 7.49 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.446 1.761 . . . . 1.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.427 HG13 ' CD2' ' A' ' 152' ' ' LEU . 13.7 m -155.84 158.94 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 1.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.47 ' HA ' ' CG1' ' A' ' 88' ' ' VAL . 3.0 pt-20 -145.82 162.34 37.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 9.7 t80 -62.47 135.16 57.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.12 -6.63 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 109.35 -179.938 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 0.9 OUTLIER -89.22 133.24 35.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 1.0 110.273 179.969 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 151' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.3 Cg_endo -74.97 156.75 43.13 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.41 1.742 . . . . 1.0 111.002 179.927 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 15.9 mt -117.16 -75.02 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.461 HG23 ' CZ ' ' A' ' 93' ' ' ARG . 9.1 t -127.69 141.84 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 44.4 t -99.51 123.56 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.9 mt -107.72 163.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 1.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.503 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 66.4 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 1.0 110.356 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.5 ptt? . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.49 0.186 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -127.46 -174.56 3.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 1.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.471 ' N ' ' CD ' ' A' ' 73' ' ' PRO . . . -40.52 -54.67 4.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.98 -69.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 1.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 71.46 -62.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 1.0 109.247 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.12 172.12 16.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 1.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 74.52 -62.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.75 134.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 1.0 110.319 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.416 HD13 ' N ' ' A' ' 79' ' ' SER . 2.1 pp -136.3 -48.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 1.0 109.359 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.416 ' N ' HD13 ' A' ' 78' ' ' ILE . 3.2 m 62.76 116.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.976 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.43 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -38.71 158.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 1.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -122.83 174.6 7.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 1.0 109.601 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.4 mp -142.84 116.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.1 t -71.29 118.09 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 1.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.39 107.58 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 110.349 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 p -39.98 106.13 0.39 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 1.0 109.955 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.71 8.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 1.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.77 121.03 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 1.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 148' ' ' PHE . 66.3 t -54.73 147.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.67 -126.56 1.86 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 1.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.432 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 85.3 m -127.04 168.37 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.584 ' CE1' HG11 ' A' ' 140' ' ' VAL . 6.6 t80 -136.93 138.9 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 1.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.571 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.5 m-85 -133.23 159.04 41.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 1.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.59 -17.55 11.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 1.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 44.2 p -136.19 155.73 77.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 1.0 110.363 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -11.74 21.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 1.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -164.21 178.74 1.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 1.0 110.033 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.03 -46.66 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 1.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.18 35.57 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 1.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.0 161.69 17.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 167.11 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -99.92 134.39 42.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.576 ' CD1' HG23 ' A' ' 114' ' ' THR . 12.4 m-85 -54.93 -40.37 69.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 1.0 111.065 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 1.8 tt -132.69 113.65 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.16 111.27 20.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 1.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.3 t -40.17 116.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.69 19.46 9.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.55 165.38 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 1.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 150.35 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 1.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.4 m -130.7 137.63 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 1.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.414 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 1.0 OUTLIER -117.0 144.2 44.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 t -40.18 108.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.94 -11.02 8.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 1.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.85 135.61 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.576 HG23 ' CD1' ' A' ' 102' ' ' PHE . 30.0 m -62.06 143.03 57.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 1.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 103' ' ' ILE . 7.4 mt -112.86 -31.43 6.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 175.91 -172.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 108.317 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.571 HD13 ' CZ ' ' A' ' 102' ' ' PHE . 12.4 mm -126.09 167.46 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 127' ' ' ILE . 4.2 t -151.81 128.56 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 1.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.432 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.6 tt0 -83.15 128.45 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -168.24 166.56 12.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.107 . . . . 1.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 3.5 ptt? 42.61 45.65 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 tttt 42.1 51.68 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 1.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.14 155.82 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 1.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.4 mtt -72.11 139.85 48.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 1.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -132.11 102.13 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.465 ' HG3' ' CG2' ' A' ' 114' ' ' THR . 8.7 tt0 -70.73 152.96 43.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.466 HD12 ' CG2' ' A' ' 118' ' ' VAL . 2.6 mt -121.83 115.98 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 129' ' ' ALA . 6.7 tt0 -97.2 131.1 44.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 128' ' ' GLU . . . -40.28 133.03 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 1.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.62 12.93 32.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.1 tttp 177.75 103.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 1.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 67.9 p -39.13 143.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 178.25 -178.62 48.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 1.0 110.982 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 40.9 m -112.58 145.57 40.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 1.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.9 p -41.13 160.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -141.9 -49.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.237 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 173.37 138.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 1.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.479 ' CG2' HG23 ' A' ' 153' ' ' VAL . 4.6 mm -100.1 111.89 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -79.68 -46.2 17.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.584 HG11 ' CE1' ' A' ' 91' ' ' PHE . 14.7 p -86.78 152.29 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 172.33 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.2 p -70.86 105.25 3.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 1.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 107.83 -20.17 31.95 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 1.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.423 ' HB3' ' CG2' ' A' ' 140' ' ' VAL . 12.6 tt0 -57.17 139.56 79.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 1.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.62 38.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.793 . . . . 1.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.454 HG13 ' CD2' ' A' ' 152' ' ' LEU . 1.3 m -131.37 161.61 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 6.4 mt-10 -130.15 175.08 9.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.438 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 36.7 t80 -60.49 139.54 57.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.5 OUTLIER 58.17 15.95 3.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 1.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 26.2 tp10 -85.34 135.22 39.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 1.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.95 22.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 1.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 26.1 mt -112.83 -77.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.479 HG23 ' CG2' ' A' ' 138' ' ' ILE . 53.8 t -116.93 149.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 1.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 79.5 t -114.12 122.49 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.469 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.9 mp -107.74 164.34 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.477 0.18 . . . . 1.0 110.967 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 64.69 152.35 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 110.273 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.48 89.25 36.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 109.249 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 119.42 5.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 1.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.32 176.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 1.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.88 -61.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -166.23 147.84 6.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -167.36 120.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 1.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.13 -70.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 1.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.9 t 179.88 42.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 1.0 110.06 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -43.78 168.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.133 . . . . 1.0 111.005 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.618 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 9.3 m-70 -115.87 166.66 11.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 1.0 109.531 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 154' ' ' VAL . 3.5 mm -132.3 117.73 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 1.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 152' ' ' LEU . 93.7 t -87.03 116.53 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 1.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -115.73 123.5 48.45 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.551 1.157 . . . . 1.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.438 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.5 OUTLIER -44.52 103.53 0.34 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 1.0 109.933 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 1.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.7 mtt -154.65 116.06 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.3 t -51.95 138.65 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.47 -120.84 0.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 1.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.2 m -129.79 169.04 15.65 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.497 0.763 . . . . 1.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.5 t80 -140.76 137.47 33.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.557 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 78.4 m-85 -128.83 162.51 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 1.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.457 ' CZ ' HD11 ' A' ' 138' ' ' ILE . 5.6 mmm-85 -111.19 -14.1 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 1.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 77.5 p -129.43 155.48 80.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 1.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.69 9.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.793 . . . . 1.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -141.92 177.2 1.99 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.0 Cg_endo -75.04 -43.42 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 1.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -100.82 52.91 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 1.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.9 144.44 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 1.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 168.18 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 1.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -73.9 133.0 43.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CE1' HG22 ' A' ' 114' ' ' THR . 4.4 m-85 -44.14 -44.32 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.8 mm -134.65 139.69 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 1.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -104.63 115.72 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 110.23 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.4 t -40.47 116.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 1.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.31 25.73 5.43 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.441 1.088 . . . . 1.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -120.33 171.11 8.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.792 . . . . 1.0 110.297 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -108.79 123.58 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.9 m -115.42 136.28 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.388 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -117.81 144.51 45.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.3 109.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 1.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.84 -3.44 6.95 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.508 1.13 . . . . 1.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.16 137.19 42.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 0.805 . . . . 1.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 102' ' ' PHE . 97.3 m -59.43 141.84 53.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 1.0 110.431 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.5 ' CD1' ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -112.58 -33.35 6.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.615 1.197 . . . . 1.0 109.255 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.5 ' SG ' ' CD1' ' A' ' 115' ' ' LEU . 21.1 p 178.39 -172.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 108.33 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 118' ' ' VAL . 5.9 mt -132.7 160.89 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.459 ' CG2' HD12 ' A' ' 127' ' ' ILE . 2.9 t -146.0 133.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -93.52 140.47 29.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 1.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.05 154.02 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.3 mmm 51.09 27.83 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 1.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt 63.6 43.85 5.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 1.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.4 mmt -159.52 150.26 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 124' ' ' MET . 1.8 pmm? -78.03 142.99 37.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 1.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -139.27 104.85 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 1.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -71.37 152.86 42.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.469 ' CG2' HD23 ' A' ' 115' ' ' LEU . 1.4 mt -118.83 116.95 52.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 1.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -95.09 122.75 38.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 1.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.4 133.1 1.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.39 15.17 26.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 1.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.618 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER 178.19 111.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 1.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.8 p -40.6 160.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 1.0 110.029 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -178.51 -173.29 43.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.515 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 2.7 m -138.67 56.3 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 1.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.2 p 50.84 177.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -166.28 -47.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 1.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 170.07 133.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 1.0 109.367 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.457 HD11 ' CZ ' ' A' ' 93' ' ' ARG . 1.0 OUTLIER -97.48 126.03 50.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.471 1.107 . . . . 1.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -44.26 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.256 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.562 HG12 ' CD2' ' A' ' 91' ' ' PHE . 10.8 p -79.37 163.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 109.389 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.0 172.77 6.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 1.0 110.291 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.4 t -82.44 101.86 10.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.557 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.36 -21.69 16.77 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.473 1.108 . . . . 1.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.26 150.98 83.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.416 0.715 . . . . 1.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 166.76 28.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 1.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.46 HG13 ' CD2' ' A' ' 152' ' ' LEU . 34.1 m -143.8 158.8 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 0.2 OUTLIER -133.69 163.52 29.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.403 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 35.4 t80 -62.33 135.14 57.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 1.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 7.3 t70 74.49 4.03 4.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.3 tp10 -85.92 136.44 36.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 151.68 39.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 1.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 54.9 mt -120.35 -77.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.46 152.44 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 1.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 69.9 t -111.19 127.41 68.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 1.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.453 ' CG2' ' HA3' ' A' ' 133' ' ' GLY . 4.9 mp -112.69 166.96 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.515 0.198 . . . . 1.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.58 -59.24 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 1.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.95 159.4 1.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.99 5.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.431 1.753 . . . . 1.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.47 63.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 1.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.35 89.52 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 63.26 170.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 1.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' SER . 30.8 tt0 -178.08 90.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 1.0 110.317 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 156' ' ' GLU . 52.2 mt 69.07 -66.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 1.0 109.385 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.601 ' O ' ' CD2' ' A' ' 81' ' ' HIS . 1.2 m 49.97 22.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 109.981 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.88 91.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.566 1.166 . . . . 1.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 79' ' ' SER . 3.8 m-70 -112.82 161.16 17.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 1.0 109.574 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.403 HD11 ' N ' ' A' ' 82' ' ' ILE . 4.6 mp -132.06 116.05 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 1.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.9 117.9 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 1.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -105.8 119.36 38.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 1.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.48 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.2 OUTLIER -45.43 103.75 0.36 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 109.993 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 0.44 8.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.778 . . . . 1.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.92 143.85 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 1.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 t -81.28 138.95 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 1.0 109.245 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.15 -121.16 1.03 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 1.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.7 m -127.66 167.43 16.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 1.0 110.387 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.4 t80 -138.06 135.45 35.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 1.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 72.8 m-85 -129.2 158.32 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.42 -18.34 12.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 1.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 40.5 p -136.7 155.1 76.86 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 1.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.03 19.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 1.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -157.67 178.74 1.58 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.929 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.99 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 1.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.61 27.53 6.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.23 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.15 164.48 11.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 1.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 2.8 mmtp -65.0 167.39 7.88 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -107.04 136.74 46.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CE1' HG22 ' A' ' 114' ' ' THR . 27.9 m-85 -63.92 -37.32 86.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 1.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.46 73.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 16.7 pt-20 -64.61 123.42 19.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 1.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . 53.1 t -40.22 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.23 13.76 24.01 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.499 1.125 . . . . 1.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.18 164.42 13.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 0.795 . . . . 1.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -117.24 170.64 8.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.3 m -149.56 139.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 2.4 t30 -119.69 151.11 39.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.34 109.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.78 -14.27 9.15 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.488 1.118 . . . . 1.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 136.75 32.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.787 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.566 HG22 ' CE1' ' A' ' 102' ' ' PHE . 86.4 m -49.43 174.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 1.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 tp -137.75 -46.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.6 p -178.47 -165.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 1.0 108.306 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.466 HG23 ' CG ' ' A' ' 124' ' ' MET . 3.8 mt -136.07 156.46 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.467 ' CG2' HD12 ' A' ' 127' ' ' ILE . 6.4 t -141.6 131.66 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -92.28 132.54 36.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 1.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.79 147.71 20.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 95.4 mtp 51.78 28.94 5.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 1.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt 64.57 42.0 5.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 1.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.5 ttm -147.56 158.53 44.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.456 1.098 . . . . 1.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.466 ' CG ' HG23 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -98.19 126.14 43.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 1.0 111.07 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -124.39 121.54 35.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.234 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -78.66 153.92 30.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 1.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.467 HD12 ' CG2' ' A' ' 118' ' ' VAL . 3.2 mt -123.34 115.9 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.23 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.84 152.75 21.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 1.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.13 157.06 23.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -135.84 18.62 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.518 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.4 OUTLIER 175.57 96.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 85.4 p -41.84 133.12 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.1 -173.04 39.87 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 1.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m -110.4 -173.98 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.774 . . . . 1.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.6 p -79.4 148.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 1.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -128.08 -48.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 168.56 133.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.415 ' CG1' HG12 ' A' ' 153' ' ' VAL . 1.0 OUTLIER -99.98 113.33 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 1.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -82.41 -44.88 15.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.566 HG12 ' CD2' ' A' ' 91' ' ' PHE . 11.7 p -78.42 140.3 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 1.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.39 150.9 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.3 p -64.05 92.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 1.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 123.05 -9.68 8.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 1.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.38 151.99 83.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 1.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 160.32 40.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 1.0 111.002 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.48 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 6.6 m -140.21 157.97 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 1.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.47 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 0.0 OUTLIER -131.46 155.93 46.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 1.0 110.288 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.518 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 17.6 t80 -62.98 133.99 55.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 1.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.0 t70 83.55 -3.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.354 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.47 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 3.2 mm-40 -89.6 148.24 39.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 1.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 155.96 42.91 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.52 1.8 . . . . 1.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 146' ' ' VAL . 74.9 mt -122.0 -80.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 1.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.415 HG12 ' CG1' ' A' ' 138' ' ' ILE . 3.8 t -127.11 150.1 32.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 35.7 t -103.21 123.82 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 1.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.5 mp -108.79 163.86 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 1.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 1.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.8 ptm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.551 0.215 . . . . 1.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 0.8 OUTLIER -72.42 133.31 44.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.464 ' N ' ' CD ' ' A' ' 73' ' ' PRO . . . 168.01 -54.47 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 1.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -74.94 56.19 4.14 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.794 . . . . 1.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 45.13 91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.24 -61.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 1.0 109.252 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.96 106.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 1.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -178.25 100.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 1.0 110.359 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -153.8 116.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 1.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.35 -82.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 110.052 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.25 100.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.507 1.129 . . . . 1.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -123.18 159.9 27.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 1.0 109.588 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.449 HD12 ' CG1' ' A' ' 154' ' ' VAL . 22.6 mm -135.0 115.83 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 1.0 109.365 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 152' ' ' LEU . 84.4 t -82.44 116.56 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -112.35 127.66 56.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HD13 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -46.67 104.52 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.982 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.3 9.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.81 . . . . 1.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.1 ttm -159.69 127.2 4.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.3 t -60.05 139.2 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 1.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.58 -123.15 1.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 1.0 111.042 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.4 m -129.77 167.82 17.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 1.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.8 t80 -137.53 135.64 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 66.9 m-85 -129.37 152.86 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 1.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.464 ' CZ ' HD11 ' A' ' 138' ' ' ILE . 9.1 mmm-85 -101.16 -13.94 17.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 1.0 110.248 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.449 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 53.7 p -130.41 155.54 80.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 1.0 110.418 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -26.55 10.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.567 1.825 . . . . 1.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.11 175.88 2.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 109.992 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.94 -37.35 2.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.567 1.825 . . . . 1.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -108.25 54.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.27 149.67 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 168.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -84.01 132.99 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.567 ' CE1' HG22 ' A' ' 114' ' ' THR . 8.9 m-85 -50.45 -41.77 53.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.68 109.75 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.7 129.28 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.9 t -40.26 116.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.117 . . . . 1.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.22 7.27 21.31 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.438 1.086 . . . . 1.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -111.39 159.38 18.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 1.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -105.93 168.93 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 1.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.2 m -145.18 139.06 22.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 109.33 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -123.2 146.99 47.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 1.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.38 109.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.453 1.095 . . . . 1.0 109.255 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.24 3.63 12.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.51 137.54 46.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.77 . . . . 1.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 102' ' ' PHE . 96.3 m -63.16 141.39 58.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 110.448 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.5 pp -112.71 -32.85 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 109.36 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 12.3 p -178.71 -164.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.463 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.7 mt -139.69 150.64 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 109.228 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 45.0 t -130.85 132.76 63.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 1.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.93 129.66 46.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -158.01 157.54 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 1.0 109.23 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 mtm 51.72 20.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.4 44.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.37 150.25 23.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.0 mtm -79.06 137.2 37.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 1.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.22 95.38 3.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 1.0 109.241 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -62.07 151.92 34.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 1.0 110.355 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.9 mm -114.2 115.8 50.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.77 125.2 35.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -41.91 133.07 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.601 1.188 . . . . 1.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.19 14.45 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 18.6 tttt -166.61 84.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 1.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' LYS . 53.9 p -39.2 142.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 1.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.16 -173.32 46.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.111 . . . . 1.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 156' ' ' GLU . 3.2 m -117.0 151.74 36.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 0.785 . . . . 1.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.2 p -41.75 161.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.501 1.126 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 137' ' ' ALA . 1.5 tmtm? -148.71 -47.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.329 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 168.46 132.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -102.11 136.57 33.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.55 -48.03 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 91' ' ' PHE . 9.0 p -69.11 167.77 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 1.0 109.352 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -119.57 168.95 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 1.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 t -82.91 87.15 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.07 -5.68 7.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 1.0 110.986 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.37 149.9 69.69 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 1.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.98 41.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 1.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.461 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.6 m -138.64 160.19 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.468 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.2 tt0 -132.44 157.14 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 1.0 110.347 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.522 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 14.6 t80 -63.16 134.56 56.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 83.82 -6.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 48.5 mm-40 -86.02 148.55 48.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 1.0 110.264 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 168.13 25.53 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.453 1.765 . . . . 1.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.461 ' CD2' HG13 ' A' ' 146' ' ' VAL . 61.0 mt -138.32 -80.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 1.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.451 ' CG2' HG22 ' A' ' 138' ' ' ILE . 11.2 t -124.63 142.2 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 1.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 82' ' ' ILE . 45.9 t -100.13 128.93 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 1.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.5 mp -119.32 163.88 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 1.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.478 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 11.6 pt-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 1.0 110.339 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.441 0.162 . . . . 1.0 111.038 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.64 158.36 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -152.01 92.02 3.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 1.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -39.16 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.781 . . . . 1.0 111.038 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.93 -61.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 1.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.29 -61.21 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 1.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -176.77 161.44 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 109.36 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.05 120.93 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.3 tp -94.57 57.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 1.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 t 60.26 -92.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.961 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.96 123.67 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.514 1.133 . . . . 1.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.412 ' NE2' HG21 ' A' ' 83' ' ' VAL . 3.8 t60 -142.84 134.34 26.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.485 0.756 . . . . 1.0 109.609 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.424 ' CG1' HG11 ' A' ' 154' ' ' VAL . 8.8 mt -99.43 123.18 51.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.159 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.468 ' CG2' HD11 ' A' ' 115' ' ' LEU . 72.2 t -81.24 122.51 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 1.0 109.287 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -110.58 119.65 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 1.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -39.36 105.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 110.071 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.47 8.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 1.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.449 ' CG ' HG12 ' A' ' 118' ' ' VAL . 16.1 ptp -161.29 135.74 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.9 t -70.73 140.22 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 1.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.61 -118.78 0.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 1.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.3 m -128.39 169.9 13.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.78 . . . . 1.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.564 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.5 t80 -140.84 141.57 34.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.4 m-85 -135.67 154.18 51.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -101.06 -15.85 17.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 1.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 77.0 p -131.38 155.57 81.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -29.34 8.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.779 . . . . 1.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.494 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -141.03 177.79 1.81 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 1.0 109.98 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -43.14 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 1.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.84 52.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 1.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.51 145.29 40.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 1.0 109.377 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -58.05 169.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -84.2 133.02 34.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CE1' HG22 ' A' ' 114' ' ' THR . 9.9 m-85 -49.99 -41.96 48.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 1.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.92 97.59 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 1.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 3.4 mp0 -76.25 122.71 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 1.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . 55.1 t -40.14 115.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.68 28.05 7.67 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 1.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -114.4 171.83 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 1.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 136.6 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.26 135.88 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.429 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.5 p-10 -118.44 143.89 46.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.04 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 1.0 109.36 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.95 -0.99 7.84 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 1.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.74 137.53 44.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 0.757 . . . . 1.0 109.214 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 102' ' ' PHE . 85.0 m -54.07 141.12 29.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.0 110.37 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.468 HD11 ' CG2' ' A' ' 83' ' ' VAL . 0.3 OUTLIER -114.01 -31.79 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.422 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 26.3 p -177.78 -168.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 108.261 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 125' ' ' ASN . 4.9 mt -136.79 146.11 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 1.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.449 HG12 ' CG ' ' A' ' 87' ' ' MET . 16.2 t -124.48 130.15 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 1.0 109.346 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -102.2 139.95 37.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 110.222 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -135.89 -176.13 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 120' ' ' ALA . 2.4 ptp -37.37 94.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 111.057 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 120' ' ' ALA . 13.3 pttt 39.94 57.98 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -159.41 133.94 7.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 1.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.68 123.92 48.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.48 ' O ' ' CG2' ' A' ' 117' ' ' ILE . 8.2 m-80 -127.12 153.92 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -114.19 160.64 18.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 110.289 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.457 ' CG2' HD22 ' A' ' 115' ' ' LEU . 2.3 mm -118.58 117.89 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -95.11 116.11 28.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.14 133.15 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 1.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -113.82 3.88 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 1.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -155.31 89.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 1.0 109.322 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.429 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 77.2 p -39.12 155.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.23 -173.0 45.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.094 . . . . 1.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.506 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 2.1 m -130.13 69.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.597 0.822 . . . . 1.0 110.383 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.6 p 50.57 177.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 1.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -167.81 -43.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.272 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 165.07 133.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.469 ' CG2' HG12 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.58 133.87 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 1.0 109.278 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.07 -44.71 4.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.564 HG12 ' CD2' ' A' ' 91' ' ' PHE . 7.7 p -74.89 158.86 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.05 161.69 15.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.8 p -72.82 95.02 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 116.83 -5.39 18.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.155 . . . . 1.0 111.024 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.61 150.95 76.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 1.0 110.23 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 157.42 42.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.528 1.804 . . . . 1.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.8 m -139.36 157.23 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 1.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -127.99 149.66 50.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 6.9 t80 -60.68 138.18 58.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 1.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 10.6 t70 85.01 -8.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 1.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -92.15 145.74 31.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.91 34.34 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.809 . . . . 1.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 146' ' ' VAL . 18.3 mt -128.47 -75.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 138' ' ' ILE . 6.1 t -128.76 142.68 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.479 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 2.7 t -99.77 124.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.12 157.05 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 1.0 110.387 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.42 0.152 . . . . 1.0 111.018 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -43.91 138.58 2.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.84 80.96 0.23 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.598 1.186 . . . . 1.0 109.35 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 58.66 4.94 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.511 1.795 . . . . 1.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.07 101.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.245 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.35 173.28 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 62.05 66.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 1.0 109.373 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' ILE . 2.2 tt0 -157.69 114.93 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.526 ' O ' ' CB ' ' A' ' 79' ' ' SER . 1.5 tp 44.68 -167.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 1.5 m 87.93 -41.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 1.0 109.913 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -46.35 162.1 0.18 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.165 . . . . 1.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.655 ' CE1' ' CD1' ' A' ' 155' ' ' ILE . 1.0 OUTLIER -126.94 162.89 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 1.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.584 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 15.4 mm -126.14 124.08 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.477 HG21 ' CE1' ' A' ' 81' ' ' HIS . 9.2 t -94.89 118.61 41.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 mtm-85 -109.21 130.08 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 1.0 110.354 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.418 ' N ' HD13 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -50.62 106.55 0.66 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 1.0 110.047 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.79 . . . . 1.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.9 mmm -155.48 128.85 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.404 1.065 . . . . 1.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.8 t -64.84 139.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.273 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.44 -124.5 1.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 1.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.9 m -125.84 170.01 12.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 1.0 110.389 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 140' ' ' VAL . 2.4 t80 -141.47 143.19 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.8 m-85 -136.17 155.41 50.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -101.19 -15.9 17.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 65.3 p -133.48 155.55 80.55 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.11 12.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 1.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -148.68 177.9 1.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.08 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -45.45 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 1.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -98.55 48.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.32 155.2 48.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 166.53 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 1.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -87.21 135.08 33.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 1.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.54 ' CE1' HG22 ' A' ' 114' ' ' THR . 14.8 m-85 -56.17 -40.06 73.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.468 ' CD1' HG13 ' A' ' 109' ' ' VAL . 5.2 mm -129.73 84.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.13 114.23 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.9 t -39.96 117.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 1.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.92 15.69 23.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.381 1.05 . . . . 1.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -113.39 169.95 8.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 0.754 . . . . 1.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 133' ' ' GLY . 0.0 OUTLIER -119.13 154.47 33.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 1.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 103' ' ' ILE . 34.5 m -135.23 146.7 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.229 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.462 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 52.6 t-20 -125.2 148.04 48.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 1.0 109.381 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.7 p -40.35 109.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.21 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.63 -13.08 7.34 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.541 1.151 . . . . 1.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.71 135.95 35.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.54 HG22 ' CE1' ' A' ' 102' ' ' PHE . 87.0 m -48.04 174.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.0 110.393 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 127' ' ' ILE . 5.4 tp -138.08 -46.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 p -176.35 -172.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 1.0 108.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.43 HG13 ' CE2' ' A' ' 102' ' ' PHE . 3.9 mt -129.42 152.1 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.228 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 127' ' ' ILE . 4.3 t -135.36 132.05 52.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.42 142.26 31.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 110.257 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -138.37 -176.19 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 122' ' ' LYS . 2.5 mtt -37.72 93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 39.91 57.64 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 109.237 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.98 150.11 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.427 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -118.41 134.03 55.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 1.0 111.012 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -130.15 151.21 50.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 1.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.34 152.22 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 110.246 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.462 HD12 ' CG2' ' A' ' 118' ' ' VAL . 1.5 mt -115.15 116.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -99.35 133.03 44.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -51.09 140.33 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 1.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -122.82 16.31 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 1.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -174.91 97.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.0 109.33 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.462 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 78.2 p -40.82 142.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 1.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.424 ' O ' ' CD ' ' A' ' 108' ' ' LYS . . . 178.76 178.37 48.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.126 . . . . 1.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.2 154.45 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 1.0 110.351 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.8 p -43.82 165.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.0 109.373 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -150.85 -49.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 174.86 132.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 1.0 109.288 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.473 ' CG2' HG23 ' A' ' 153' ' ' VAL . 2.7 mm -100.67 113.67 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -81.4 -44.22 17.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.573 HG12 ' CE2' ' A' ' 91' ' ' PHE . 9.8 p -79.57 167.21 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -120.81 170.9 9.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 110.328 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.5 t -81.02 95.39 6.8 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.542 1.151 . . . . 1.0 109.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 115.33 -4.91 21.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 1.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.47 150.54 73.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 1.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 160.29 40.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 1.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 152' ' ' LEU . 6.1 m -139.92 156.57 25.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 1.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.47 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 0.4 OUTLIER -128.9 154.2 46.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 1.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 15.0 t80 -62.71 135.2 57.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 10.7 t70 83.71 -6.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 1.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.47 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 37.8 mm-40 -87.74 149.78 46.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 1.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.28 25.2 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.435 1.755 . . . . 1.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 146' ' ' VAL . 54.1 mt -139.2 -79.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 1.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.473 HG23 ' CG2' ' A' ' 138' ' ' ILE . 19.1 t -120.36 139.6 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.584 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 66.3 t -107.79 120.4 59.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.655 ' CD1' ' CE1' ' A' ' 81' ' ' HIS . 1.2 mp -105.85 163.52 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.489 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.36 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.4 mmm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.567 0.222 . . . . 1.0 110.972 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 179.88 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.33 68.34 1.83 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.38 11.32 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.515 1.797 . . . . 1.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.67 175.66 1.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.42 1.075 . . . . 1.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.28 141.54 24.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 1.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -176.96 171.94 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 1.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -147.77 157.0 43.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 1.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.45 HD13 ' CE ' ' A' ' 131' ' ' LYS . 9.2 tp -102.88 153.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.414 1.071 . . . . 1.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.11 79.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 110.075 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.78 119.06 4.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.56 1.163 . . . . 1.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -128.93 103.29 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 1.0 109.626 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.433 ' CG1' HG12 ' A' ' 154' ' ' VAL . 5.0 mt -90.86 123.91 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.475 1.109 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 81' ' ' HIS . 95.8 t -83.38 135.43 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 1.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -124.33 117.43 24.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 1.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.464 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -41.12 101.05 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.446 1.761 . . . . 1.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.43 115.23 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 1.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 148' ' ' PHE . 19.4 t -52.02 138.37 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 1.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.71 -124.19 1.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 1.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 84.2 m -127.04 170.61 12.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 1.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.4 t80 -140.52 143.36 35.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 110.951 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 69.8 m-85 -137.36 155.79 48.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 1.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -102.31 -15.14 16.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 81.2 p -131.68 155.53 81.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 1.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.66 19.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 1.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.59 168.67 10.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 1.0 110.072 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.31 12.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 1.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.21 34.23 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -119.66 150.49 40.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 1.0 109.24 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 170.47 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -90.01 133.16 34.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CE1' HG22 ' A' ' 114' ' ' THR . 12.7 m-85 -54.2 -40.24 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 1.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 109' ' ' VAL . 20.0 mt -139.35 114.7 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 1.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 4.1 tt0 -93.38 120.05 33.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 1.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 104' ' ' GLU . 92.0 t -40.29 116.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 110.63 22.16 6.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 1.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.69 165.18 22.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 1.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -109.59 168.75 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 103' ' ' ILE . 16.6 m -149.62 148.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 27.6 p30 -121.33 142.23 50.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 1.0 109.267 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.47 109.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.115 . . . . 1.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.63 -3.47 7.06 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.488 1.118 . . . . 1.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.84 137.54 43.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 1.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.568 HG22 ' CE1' ' A' ' 102' ' ' PHE . 97.7 m -56.29 141.65 40.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.571 1.169 . . . . 1.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.466 ' CD2' HG21 ' A' ' 127' ' ' ILE . 2.1 pp -112.79 -32.85 6.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.505 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.75 -167.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.435 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.6 mt -136.73 150.82 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.0 t -133.56 130.06 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -92.97 129.42 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 1.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.92 153.88 26.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 7.1 mmm 47.14 42.11 12.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 1.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 121' ' ' MET . 16.2 pttp 48.9 45.96 22.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 1.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 143.77 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 1.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 124' ' ' MET . 1.0 OUTLIER -73.78 137.41 43.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -135.22 96.25 3.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 1.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -65.59 151.32 46.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.312 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.466 HG21 ' CD2' ' A' ' 115' ' ' LEU . 2.7 mm -119.19 115.84 49.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.103 . . . . 1.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -91.62 126.71 36.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 1.0 110.256 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -41.01 140.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 1.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -121.66 19.54 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 1.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.45 ' CE ' HD13 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -175.09 93.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 1.0 109.264 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.1 p -39.9 146.53 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 1.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 171.23 -173.2 44.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 1.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 3.6 m -116.63 170.66 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 1.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.461 ' N ' ' CG2' ' A' ' 134' ' ' THR . 7.3 p -55.61 157.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.495 1.122 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 1.0 OUTLIER -142.21 -47.41 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 1.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 167.35 133.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -102.67 136.08 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -105.67 -47.44 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 1.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 91' ' ' PHE . 10.0 p -85.84 137.97 19.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 1.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.26 178.42 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.1 t -77.96 93.42 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 110.026 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.92 -15.95 6.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.457 1.098 . . . . 1.0 111.029 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.426 ' CB ' HG21 ' A' ' 140' ' ' VAL . 14.9 mt-30 -66.78 148.92 98.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 1.0 110.281 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 169.71 22.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.421 1.748 . . . . 1.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.464 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 28.8 m -147.12 158.22 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 1.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.18 165.79 22.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 29.6 t80 -66.69 125.28 25.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.3 t70 82.01 -3.8 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 1.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.7 144.99 74.13 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 1.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 150.22 37.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 1.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.449 ' CD2' HG13 ' A' ' 146' ' ' VAL . 28.8 mt -123.41 -77.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 15.1 t -129.42 139.01 52.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 12.3 t -97.65 121.89 48.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -111.48 163.88 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.11 . . . . 1.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 40.0 tt0 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 1.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.501 0.191 . . . . 1.0 111.034 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 0.6 OUTLIER -173.64 73.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.463 ' N ' ' CD ' ' A' ' 73' ' ' PRO . . . 168.28 -54.69 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 1.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.96 72.56 4.59 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.494 1.787 . . . . 1.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.45 178.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.072 . . . . 1.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.41 -72.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 1.0 109.315 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 169.74 158.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.349 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 45.32 77.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 1.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 74.5 mt 66.58 -86.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 p 64.23 17.82 10.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.128 . . . . 1.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -41.93 164.56 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.15 . . . . 1.0 110.925 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -138.3 123.15 18.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 1.0 109.598 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.468 ' CG1' HG12 ' A' ' 154' ' ' VAL . 2.2 mp -92.46 120.28 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.92 116.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 1.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -109.19 108.26 18.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 1.0 110.271 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.05 104.12 0.34 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 1.0 110.055 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.53 8.74 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 1.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.16 126.84 8.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 1.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 89' ' ' GLY . 58.1 t -61.6 150.55 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 1.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.417 ' N ' HG11 ' A' ' 88' ' ' VAL . . . 152.95 -116.7 0.76 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 1.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.7 m -138.83 165.52 26.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 1.0 110.359 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.1 t80 -134.39 135.79 42.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 1.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.564 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 58.6 m-85 -132.21 146.19 51.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 1.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 19.3 mmm-85 -91.73 -16.07 27.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 69.0 p -136.35 155.34 77.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 110.404 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.464 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.3 Cg_endo -74.96 -11.6 21.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 1.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.89 170.73 6.15 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 1.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -24.87 12.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.424 1.75 . . . . 1.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -111.68 20.33 17.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 1.0 109.291 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' LYS . . . -109.3 148.28 31.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -52.48 -174.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -108.85 134.38 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.536 ' CD1' ' CG2' ' A' ' 114' ' ' THR . 30.5 m-85 -63.39 -36.78 84.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 1.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 29.3 pt -137.08 115.18 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -98.39 113.25 25.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -40.34 116.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.376 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.4 20.19 7.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 1.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.07 159.33 34.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 1.0 110.245 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -101.31 168.13 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.8 m -147.19 144.89 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 1.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.419 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.1 p-10 -134.16 150.99 51.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -40.36 108.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 1.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.56 -25.08 4.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 1.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.41 138.33 31.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.536 ' CG2' ' CD1' ' A' ' 102' ' ' PHE . 86.6 m -59.75 175.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 129' ' ' ALA . 0.3 OUTLIER -135.7 -46.68 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 1.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.568 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.0 p -174.46 -160.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 108.269 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.53 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 8.9 mm -135.49 150.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.8 t -134.4 119.83 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 109.241 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -89.39 127.37 35.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 1.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.55 167.79 7.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 7.0 mtt 52.06 44.61 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 45.06 35.13 1.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 1.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.85 172.26 17.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.64 127.09 53.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.467 ' O ' ' CG2' ' A' ' 117' ' ' ILE . 9.0 m-80 -118.38 154.27 32.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.62 150.49 30.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 1.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.7 mm -113.84 116.06 51.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 1.0 109.327 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -97.59 139.2 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.076 . . . . 1.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.428 ' HB3' ' CD2' ' A' ' 115' ' ' LEU . . . -43.88 133.07 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -121.03 15.47 11.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 1.0 109.357 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 6.9 tttp -176.96 88.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 1.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 81.6 p -39.25 135.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 110.002 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 177.04 -173.22 46.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.549 1.156 . . . . 1.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.0 OUTLIER -109.41 168.22 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 1.0 110.373 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 134' ' ' THR . 10.0 p -63.29 143.54 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 1.0 OUTLIER -119.62 -45.17 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 164.55 133.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 93' ' ' ARG . 1.4 mt -98.69 135.25 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.04 -44.06 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 91' ' ' PHE . 7.2 p -70.36 137.82 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 1.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 144' ' ' GLN . 0.2 OUTLIER -100.81 119.52 38.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 1.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 141' ' ' GLU . 18.6 t -38.74 101.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 1.0 109.968 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.564 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 121.4 -5.08 10.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 1.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 141' ' ' GLU . 0.1 OUTLIER -87.35 151.77 51.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.408 0.71 . . . . 1.0 110.271 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 150.66 38.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 1.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.516 ' CG1' ' CD2' ' A' ' 152' ' ' LEU . 5.4 m -119.02 158.21 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 3.7 mt-10 -134.27 165.06 25.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 22.6 t80 -59.05 138.41 57.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 1.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 55.37 19.14 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 1.0 109.239 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 36.2 tp10 -86.67 135.11 36.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.371 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 142.39 27.9 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.47 1.773 . . . . 1.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.516 ' CD2' ' CG1' ' A' ' 146' ' ' VAL . 70.8 mt -119.23 -80.32 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 1.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 138' ' ' ILE . 8.7 t -117.89 150.28 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 21.3 t -106.85 126.56 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 1.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.0 mp -117.98 161.39 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 4.0 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 1.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.478 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.532 0.206 . . . . 1.0 111.032 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 70' ' ' MET . 7.7 pt-20 47.41 -174.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 1.0 110.302 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.98 69.47 1.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.258 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.02 10.47 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.78 . . . . 1.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.65 174.54 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 1.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.64 126.81 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 1.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.12 -61.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.75 110.98 0.09 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.623 1.202 . . . . 1.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.439 ' O ' ' NZ ' ' A' ' 131' ' ' LYS . 0.2 OUTLIER -125.45 -177.92 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -106.96 113.51 27.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 1.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.99 121.09 4.28 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.508 1.13 . . . . 1.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.19 103.38 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 1.0 109.655 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.456 HG13 ' CG1' ' A' ' 154' ' ' VAL . 2.4 mp -88.44 118.72 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 1.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.06 123.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.9 mtt85 -105.51 116.29 31.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 1.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.441 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.1 OUTLIER -40.31 100.45 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 1.0 109.985 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 0.42 8.94 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.419 1.747 . . . . 1.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.08 130.64 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.89 145.85 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 1.0 109.29 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.17 -120.92 1.12 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 1.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.5 m -128.86 166.7 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 1.0 110.391 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.595 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 5.8 t80 -136.89 137.01 39.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 110.989 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.576 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 63.9 m-85 -131.89 153.07 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.403 1.064 . . . . 1.0 111.055 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.421 ' NH1' ' HA ' ' A' ' 141' ' ' GLU . 3.3 mtp180 -108.69 -18.58 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 36.9 p -136.78 154.74 76.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 1.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.08 19.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 1.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -159.0 178.66 1.61 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.968 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -75.0 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 1.0 111.037 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -104.06 35.16 2.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 1.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.53 161.1 18.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 1.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -61.4 168.72 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -108.45 135.05 50.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 1.177 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 114' ' ' THR . 26.4 m-85 -61.6 -37.64 84.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 1.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.9 pt -137.07 73.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.75 118.89 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.251 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.1 t -40.5 116.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 1.0 109.252 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.5 12.46 24.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 1.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -112.91 171.09 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.406 0.709 . . . . 1.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.92 168.22 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 1.0 109.223 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.7 m -146.72 141.11 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -122.82 149.28 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.4 109.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 1.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.03 -16.15 8.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 1.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.28 136.18 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 1.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 102' ' ' PHE . 87.5 m -47.89 174.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 110.441 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 127' ' ' ILE . 6.8 tp -138.58 -46.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -177.87 -167.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 125' ' ' ASN . 3.5 mt -134.95 148.03 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 1.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.413 ' N ' HG21 ' A' ' 117' ' ' ILE . 41.5 t -129.32 128.29 66.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.536 1.148 . . . . 1.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.35 135.2 42.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -133.41 -176.24 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -37.99 93.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 39.88 57.4 2.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.497 1.123 . . . . 1.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -159.26 128.24 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.5 mtt -102.68 121.77 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.465 ' O ' ' CG2' ' A' ' 117' ' ' ILE . 7.9 m-80 -124.54 158.51 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.597 1.186 . . . . 1.0 109.212 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -116.65 167.04 11.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 115' ' ' LEU . 4.4 mm -128.2 115.97 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -95.65 145.15 25.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 1.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.45 134.05 56.69 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.136 . . . . 1.0 109.342 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -116.84 15.31 15.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.439 ' NZ ' ' O ' ' A' ' 78' ' ' ILE . 1.7 tmtt? -174.93 93.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 83.8 p -39.95 137.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.96 -173.27 43.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 1.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 6.9 m -110.55 -174.33 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.726 . . . . 1.0 110.408 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.4 p -78.65 142.79 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 1.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -121.58 -47.18 2.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 1.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 164.81 133.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.469 HG21 ' CG2' ' A' ' 153' ' ' VAL . 1.6 mt -99.59 117.65 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -87.87 -43.1 12.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.551 HG12 ' CD2' ' A' ' 91' ' ' PHE . 10.8 p -81.62 137.94 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.421 ' HA ' ' NH1' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -89.95 151.78 21.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.9 t -64.88 85.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.576 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 131.67 -5.49 5.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 1.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.1 150.94 69.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.791 . . . . 1.0 110.32 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 158.8 42.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 1.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.473 HG13 ' CD2' ' A' ' 152' ' ' LEU . 2.7 m -138.86 158.69 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 1.0 109.302 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -128.23 159.92 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 110.267 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 22.3 t80 -65.33 130.71 44.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 1.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 18.9 t0 83.2 -5.6 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.22 146.88 52.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 147.42 33.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 1.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.473 ' CD2' HG13 ' A' ' 146' ' ' VAL . 90.0 mt -116.47 -79.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 1.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.469 ' CG2' HG21 ' A' ' 138' ' ' ILE . 11.0 t -124.23 151.87 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 14.9 t -106.37 124.08 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.446 ' O ' ' CD ' ' A' ' 136' ' ' LYS . 1.5 mp -114.01 159.9 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.6 tm-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 110.239 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.478 0.18 . . . . 1.0 111.059 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -144.26 60.12 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.65 99.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 1.0 109.269 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.01 128.74 11.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 1.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.9 -61.05 0.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 1.0 109.373 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -177.1 174.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 63.33 119.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 109.394 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.64 144.63 50.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 1.0 110.35 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.418 ' O ' ' CG2' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -136.83 113.25 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.417 ' N ' HD12 ' A' ' 78' ' ' ILE . 8.2 t -126.45 150.51 48.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.23 98.58 1.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 1.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -118.48 161.18 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 1.0 109.57 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.514 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 8.6 mm -137.48 120.86 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 1.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 152' ' ' LEU . 61.2 t -86.98 116.37 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 1.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -105.33 122.36 45.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 1.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.492 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 5.9 t -45.96 105.45 0.47 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 1.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.43 8.9 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 1.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -160.13 134.66 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 1.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.0 t -68.72 139.53 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 109.253 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.18 -122.3 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 1.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.426 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 59.4 m -130.63 169.09 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 0.811 . . . . 1.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.561 ' CE1' HG11 ' A' ' 140' ' ' VAL . 2.6 t80 -138.93 138.39 37.32 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 1.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.487 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 66.6 m-85 -129.6 161.31 30.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.471 ' CZ ' HD11 ' A' ' 138' ' ' ILE . 7.0 mmm-85 -110.76 -14.2 14.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 1.0 110.305 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 46.2 p -134.51 155.4 79.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 1.0 110.437 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.27 9.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 1.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.508 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.92 178.67 1.37 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.05 -41.96 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.465 1.771 . . . . 1.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -99.95 36.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -118.96 154.29 33.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.385 1.053 . . . . 1.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -66.59 166.69 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -88.06 133.59 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 1.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CD1' HG23 ' A' ' 114' ' ' THR . 20.1 m-85 -56.67 -39.13 73.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 1.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.61 93.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.052 . . . . 1.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.28 125.03 28.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.0 110.25 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.8 t -40.26 116.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 1.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.34 13.28 10.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 1.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -122.61 171.15 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 1.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.412 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 1.4 pttt -118.02 178.56 4.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 1.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 108' ' ' LYS . 31.6 m -154.45 144.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 1.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -118.42 171.91 7.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 1.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.94 108.95 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 1.0 109.369 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.15 -8.04 12.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.563 1.165 . . . . 1.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.46 135.55 34.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 0.712 . . . . 1.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.569 HG23 ' CD1' ' A' ' 102' ' ' PHE . 92.0 m -57.88 147.27 29.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 1.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 129' ' ' ALA . 6.5 mt -114.64 -36.45 4.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 1.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.4 p 174.06 -173.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 1.0 108.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.429 HG13 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -127.35 161.61 34.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 1.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.467 ' CG2' HD12 ' A' ' 127' ' ' ILE . 3.0 t -146.27 128.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.426 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.4 tt0 -84.18 132.62 34.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -161.46 151.69 17.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 1.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.493 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 8.2 mmm 47.51 43.16 15.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 1.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 121' ' ' MET . 9.4 pttm 49.08 44.86 23.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.449 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 2.0 mmt -163.0 140.77 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 1.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -68.34 142.68 55.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 1.0 111.058 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 123' ' ' MET . 20.7 m-80 -136.9 103.27 5.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.174 . . . . 1.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.32 157.49 36.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 1.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.467 HD12 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -125.89 117.2 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -90.86 129.28 36.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.437 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . . . -40.45 133.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 1.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.13 14.92 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -174.31 88.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' LYS . 10.3 m -39.17 137.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 1.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.88 -174.71 46.18 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.51 1.131 . . . . 1.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -114.27 168.77 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 0.803 . . . . 1.0 110.393 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.51 ' N ' ' CG2' ' A' ' 134' ' ' THR . 10.7 p -59.14 158.12 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 1.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.458 ' HD3' ' CB ' ' A' ' 156' ' ' GLU . 16.1 tptt -145.22 -46.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 1.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 171.07 132.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 1.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.471 HD11 ' CZ ' ' A' ' 93' ' ' ARG . 0.8 OUTLIER -104.57 128.02 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.86 -46.98 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 1.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 91' ' ' PHE . 13.6 p -79.49 148.13 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.52 169.9 8.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 1.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 18.2 t -77.49 87.51 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.487 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.35 -5.54 7.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.96 150.67 75.35 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.533 0.784 . . . . 1.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.74 41.98 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.537 1.809 . . . . 1.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.492 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 4.0 m -138.45 157.42 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 1.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 5.5 mp0 -131.66 151.08 51.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 1.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.515 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 8.3 t80 -61.32 136.74 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 1.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.8 t70 84.33 -7.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 4.1 mt-10 -92.23 148.95 37.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 1.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 160.8 39.73 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.509 1.794 . . . . 1.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.461 ' CD2' HG13 ' A' ' 146' ' ' VAL . 59.5 mt -127.26 -76.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.439 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 34.7 t -125.72 137.97 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.514 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 38.5 t -96.31 124.66 49.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.8 mp -108.67 164.27 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.498 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.3 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 1.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' GLU . 3.3 ttt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.52 0.2 . . . . 1.0 111.022 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' MET . 3.4 pm0 38.98 48.6 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 1.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' N ' ' CD ' ' A' ' 73' ' ' PRO . . . -45.71 -54.6 15.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.08 63.79 6.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 1.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.01 -61.2 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 1.0 109.292 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 74.54 -62.08 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 1.0 109.334 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -163.03 148.38 11.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.65 127.52 32.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 1.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.1 mm 65.57 144.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 p -119.03 -65.72 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 1.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.87 115.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.561 1.163 . . . . 1.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.485 ' CG ' ' N ' ' A' ' 82' ' ' ILE . 26.2 t60 -120.94 166.08 14.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 1.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.485 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 14.6 mt -141.09 116.53 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 152' ' ' LEU . 39.3 t -71.47 117.81 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 1.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -104.62 109.74 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.068 . . . . 1.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 152' ' ' LEU . 2.2 p -44.57 105.98 0.49 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 0.75 8.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 1.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.18 133.92 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 1.0 111.006 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.7 t -77.44 138.86 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 1.0 109.375 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.99 -123.82 1.25 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 1.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.426 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 21.9 m -122.23 167.93 12.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 1.0 110.433 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.574 ' CD2' HG12 ' A' ' 140' ' ' VAL . 14.4 t80 -137.73 138.5 39.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 1.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.4 m-85 -136.4 147.59 47.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 1.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -107.3 -19.26 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.305 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.473 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 40.5 p -136.86 155.14 76.6 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 1.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -10.94 21.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 1.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.405 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -165.47 172.71 4.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 110.027 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -27.0 10.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 1.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.04 24.3 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.64 161.89 14.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 1.0 109.206 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -59.18 176.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 1.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.473 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -116.33 135.2 54.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.616 ' CD1' ' CG2' ' A' ' 114' ' ' THR . 21.5 m-85 -61.51 -38.07 86.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -128.06 88.78 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.36 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 110.1 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.0 110.272 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.0 t -40.23 117.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 1.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.18 6.09 36.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 1.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 165.12 11.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 1.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.62 169.21 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.5 m -147.26 139.1 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.463 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.7 t-20 -124.31 154.67 39.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.24 108.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 1.0 109.403 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.24 -37.98 2.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 1.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.74 135.15 46.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 0.728 . . . . 1.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.616 ' CG2' ' CD1' ' A' ' 102' ' ' PHE . 94.5 m -53.47 172.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 1.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.6 mt -135.73 -46.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 1.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.516 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 26.8 p -178.13 -160.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 1.0 108.354 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.553 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.5 mt -139.77 154.9 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 127' ' ' ILE . 47.3 t -140.05 129.25 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.426 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 7.1 tt0 -88.19 125.5 34.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -151.17 149.53 29.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 1.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 11.8 mtp 47.39 43.41 15.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 121' ' ' MET . 1.2 ptpp? 49.09 44.78 23.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.421 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 9.4 tpt -158.95 131.37 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.77 139.82 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 123' ' ' MET . 54.6 m-80 -137.14 103.57 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 1.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -68.24 156.7 37.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 118' ' ' VAL . 3.5 mt -123.12 115.85 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 1.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.0 132.79 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.5 132.97 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 1.0 109.338 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -123.99 15.15 9.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.8 tttp -172.37 86.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 1.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.463 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 84.0 p -39.23 130.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 110.036 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -168.97 -172.28 35.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.567 1.167 . . . . 1.0 111.002 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 156' ' ' GLU . 14.2 t -123.01 147.39 46.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 1.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.0 p -41.39 160.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 156' ' ' GLU . 0.5 OUTLIER -150.88 -46.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 1.0 109.369 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.95 133.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.521 ' N ' ' CD1' ' A' ' 138' ' ' ILE . 0.9 OUTLIER -101.66 112.14 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 1.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -82.19 -40.84 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 1.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.574 HG12 ' CD2' ' A' ' 91' ' ' PHE . 11.3 p -84.99 140.81 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.389 1.055 . . . . 1.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.8 163.15 12.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 1.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.31 100.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 1.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 118.24 -25.53 8.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 1.0 111.039 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 151.81 52.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 1.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 169.29 22.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.582 1.833 . . . . 1.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.542 ' CG1' ' CD2' ' A' ' 152' ' ' LEU . 2.0 m -143.02 156.44 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 1.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 1.1 tp10 -138.31 156.84 47.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -59.47 138.23 57.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 1.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.3 t70 72.03 6.27 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 1.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.1 tp10 -93.15 136.51 24.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.81 29.6 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.789 . . . . 1.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.542 ' CD2' ' CG1' ' A' ' 146' ' ' VAL . 33.4 mt -114.63 -79.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.603 1.189 . . . . 1.0 109.329 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.451 ' CG1' HD11 ' A' ' 138' ' ' ILE . 54.6 t -112.64 137.77 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 69.9 t -99.58 124.63 53.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 1.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.3 mm -111.66 163.95 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.494 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.2 tm-20 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 1.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.488 0.185 . . . . 1.0 110.998 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.78 -42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.469 ' N ' ' CD ' ' A' ' 73' ' ' PRO . . . -40.56 -54.58 4.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -74.96 -65.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.512 1.796 . . . . 1.0 111.074 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 174.04 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.52 130.03 2.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 1.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.68 -65.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.492 ' C ' ' CD1' ' A' ' 78' ' ' ILE . 1.4 pt-20 -164.44 109.28 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.492 ' CD1' ' C ' ' A' ' 77' ' ' GLU . 1.2 mp 53.38 21.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 1.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 1.3 t 81.99 -51.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.948 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -43.76 168.31 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 1.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.568 ' CD2' HG23 ' A' ' 155' ' ' ILE . 4.9 p80 -139.6 122.34 16.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 1.0 109.643 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.459 ' CD1' ' OE1' ' A' ' 77' ' ' GLU . 4.0 mp -90.73 116.13 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 1.0 109.233 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 152' ' ' LEU . 50.7 t -77.13 117.45 22.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.077 . . . . 1.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -98.5 122.22 41.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 110.363 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 1.4 t -39.05 99.56 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 1.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.14 9.24 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 1.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.45 117.69 3.13 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 1.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.6 t -60.67 140.01 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 1.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.99 -117.35 0.78 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.402 1.064 . . . . 1.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.43 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 88.5 m -129.97 168.4 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 1.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.7 t80 -140.67 139.59 34.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 62.9 m-85 -131.01 162.21 30.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.5 mmm-85 -109.69 -13.73 14.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 1.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.449 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 76.5 p -131.84 155.46 81.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 1.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.83 12.51 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.547 1.814 . . . . 1.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -145.51 174.15 3.69 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 -37.82 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 1.0 111.023 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -105.51 45.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.616 1.198 . . . . 1.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.52 153.73 48.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 1.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 166.65 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -79.43 133.03 36.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 1.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CD1' HG23 ' A' ' 114' ' ' THR . 8.4 m-85 -50.47 -41.85 53.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 1.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.485 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 2.7 pp -132.8 115.07 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.82 116.46 25.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.358 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.5 t -40.74 116.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.85 16.41 9.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 1.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -120.65 171.09 8.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.772 . . . . 1.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 166.43 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 1.0 109.388 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 15.0 m -143.03 138.49 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 1.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -118.1 143.26 46.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 1.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.492 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.41 109.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.91 -17.42 7.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.51 138.68 31.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 0.771 . . . . 1.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.569 HG23 ' CD1' ' A' ' 102' ' ' PHE . 65.4 m -62.78 144.47 56.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.3 -33.93 5.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.4 p 176.17 -173.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 1.0 108.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 118' ' ' VAL . 4.9 mt -126.58 160.5 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 1.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.416 ' N ' HG21 ' A' ' 117' ' ' ILE . 24.4 t -145.65 125.81 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 1.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.5 tt0 -84.65 130.55 34.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -158.15 152.26 24.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 1.0 109.372 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.85 19.52 2.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.42 39.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.406 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -157.39 150.37 23.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 1.0 110.961 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -73.99 135.01 43.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.407 1.067 . . . . 1.0 110.985 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 123' ' ' MET . 18.2 m-80 -132.84 102.67 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 127' ' ' ILE . 29.8 tt0 -66.48 157.79 31.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.467 ' N ' ' CG ' ' A' ' 126' ' ' GLN . 2.8 mm -122.45 115.73 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -92.57 129.86 38.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.07 . . . . 1.0 110.333 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -45.98 143.6 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -123.64 18.16 9.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 1.0 109.282 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.7 tttm 179.83 94.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.7 p -39.42 149.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 170.65 -172.98 44.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.43 1.082 . . . . 1.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m -109.8 -175.2 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 0.745 . . . . 1.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.8 p -82.38 138.88 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -116.92 -46.51 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 109.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 167.61 140.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 1.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.469 ' CD1' HG12 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -103.55 128.7 56.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.44 ' CD2' HG22 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -99.21 -41.99 7.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 1.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.577 HG12 ' CD2' ' A' ' 91' ' ' PHE . 11.8 p -83.72 150.35 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -103.89 172.73 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 110.281 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 p -81.01 97.34 7.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 1.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 118.51 -14.46 11.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 1.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 150.44 96.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.507 0.769 . . . . 1.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.63 34.97 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 1.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.458 HG13 ' CD2' ' A' ' 152' ' ' LEU . 21.7 m -142.13 158.42 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 1.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 148' ' ' PHE . 15.3 tt0 -140.62 154.12 46.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 1.0 110.349 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.539 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 1.4 t80 -60.85 137.83 58.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 1.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.95 -8.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.0 109.368 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.97 144.53 30.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 157.59 42.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 1.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 74.0 mt -124.4 -81.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 1.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 138' ' ' ILE . 3.4 t -121.27 144.17 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.575 1.172 . . . . 1.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 139' ' ' LEU . 49.9 t -104.05 120.55 54.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 1.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.568 HG23 ' CD2' ' A' ' 81' ' ' HIS . 1.6 mp -105.14 163.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 1.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.2 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.557 0.218 . . . . 1.0 111.002 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 66.22 26.42 10.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 1.0 110.335 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.464 ' CB ' ' HD3' ' A' ' 73' ' ' PRO . . . -76.81 -54.63 1.63 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 1.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -75.02 56.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.414 1.744 . . . . 1.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' ALA . . . 43.52 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 1.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 68.94 -67.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.175 . . . . 1.0 109.34 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -40.46 154.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 1.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -136.23 105.37 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 110.356 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' GLU . 27.2 pt 40.4 78.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.32 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.504 ' CB ' ' C ' ' A' ' 156' ' ' GLU . 0.3 OUTLIER 73.45 -58.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -37.71 100.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.607 1.192 . . . . 1.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.566 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -127.74 103.2 7.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 1.0 109.664 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.4 mt -86.5 122.49 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 81' ' ' HIS . 4.7 t -78.66 126.23 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -111.78 117.22 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.454 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 2.7 t -48.34 107.12 0.69 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 1.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.53 8.82 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 1.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.09 153.87 42.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -94.29 139.12 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.08 -113.51 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 1.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.4 m -135.5 166.11 23.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.752 . . . . 1.0 110.384 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.53 ' CE2' HG12 ' A' ' 140' ' ' VAL . 2.6 t80 -134.28 139.1 45.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.2 m-85 -132.77 159.23 40.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 1.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -115.29 -17.79 11.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.475 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 57.4 p -136.08 155.39 77.62 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 1.0 110.444 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -13.5 21.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 1.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -158.98 178.76 1.57 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 1.0 110.03 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 -48.03 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 1.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -99.87 26.69 6.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.02 159.8 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -60.17 168.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.475 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -106.68 137.36 44.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 1.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CE1' HG22 ' A' ' 114' ' ' THR . 14.0 m-85 -59.91 -39.56 85.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 1.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mm -132.7 100.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.76 112.29 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 1.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.8 t -40.36 116.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 109.348 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.14 8.78 21.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 1.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -114.89 167.07 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 1.0 110.364 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -111.44 160.28 17.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 1.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.2 m -138.18 143.25 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.6 m-80 -125.64 151.17 46.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.5 p -40.08 109.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 1.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.8 -22.47 6.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 1.0 111.044 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.18 134.53 34.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 0.713 . . . . 1.0 109.206 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 102' ' ' PHE . 95.4 m -53.87 172.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.429 ' CD2' HG23 ' A' ' 83' ' ' VAL . 3.7 tp -136.64 -45.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.4 p -178.86 -173.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 108.237 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.455 HD12 ' CE2' ' A' ' 102' ' ' PHE . 2.7 mt -126.39 160.31 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 1.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.43 ' N ' HG21 ' A' ' 117' ' ' ILE . 22.0 t -143.78 122.91 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 1.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.43 129.25 34.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -174.51 170.8 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.7 ptt? 42.39 46.15 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 40.94 51.75 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -177.94 161.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 1.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.14 134.31 35.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 1.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -125.56 102.22 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -72.37 157.71 37.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.49 115.76 44.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 1.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -93.23 144.04 25.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.22 135.56 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.13 15.07 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.98 91.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 1.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 88.1 p -39.28 141.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 109.934 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.76 -173.35 43.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.445 1.09 . . . . 1.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.1 m -113.85 164.89 13.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 1.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.438 ' N ' ' CG2' ' A' ' 134' ' ' THR . 8.2 p -61.98 151.08 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -130.94 -48.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 1.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 163.72 141.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 2.3 mt -102.0 123.36 55.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 1.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.48 -43.9 7.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.53 HG12 ' CE2' ' A' ' 91' ' ' PHE . 8.0 p -72.45 137.68 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 142' ' ' SER . 3.8 tm-20 -96.06 104.48 16.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 1.0 110.261 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 141' ' ' GLU . 8.5 p -36.65 104.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 110.063 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 122.44 -4.46 10.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.123 . . . . 1.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.409 ' CG ' HG21 ' A' ' 140' ' ' VAL . 5.4 pt20 -97.39 153.25 38.45 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 1.0 110.276 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 138.99 23.93 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 1.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.454 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 1.8 m -119.35 166.42 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 1.0 109.292 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.421 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 27.5 tt0 -135.18 152.65 51.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 1.07 . . . . 1.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 6.7 t80 -61.23 137.3 58.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.5 t70 85.46 -8.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.421 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 4.6 mt-10 -90.04 144.42 31.31 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 110.237 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 165.72 30.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 1.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.448 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 24.0 mt -132.17 -79.48 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 1.0 109.38 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.0 t -115.58 155.54 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.506 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 19.4 t -110.03 123.35 65.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.392 1.058 . . . . 1.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.2 mp -113.04 163.81 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.504 ' C ' ' CB ' ' A' ' 79' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.561 0.219 . . . . 1.0 111.047 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.22 -59.24 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 1.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.16 84.92 0.17 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 1.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 156.45 43.05 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 1.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.49 82.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 1.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.6 89.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -173.58 125.34 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 1.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.41 ' C ' ' CD1' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -115.26 59.52 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 1.0 110.353 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.41 ' CD1' ' C ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER 40.98 -160.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.9 p -92.68 -62.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 109.953 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.421 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -44.05 169.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -115.91 172.9 6.85 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.505 0.767 . . . . 1.0 109.545 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.2 mt -139.46 116.11 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 1.0 109.333 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 52.5 t -82.54 120.56 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 1.0 109.217 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 86' ' ' PRO . 68.4 mtp180 -107.15 118.21 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 1.0 110.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.496 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.6 OUTLIER -38.71 99.24 0.19 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 110.014 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -74.98 -1.07 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.799 . . . . 1.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.03 121.27 6.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 1.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.4 143.96 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 1.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.92 -118.32 0.87 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 1.0 111.035 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.0 m -131.49 166.32 21.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 1.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CD2' HG12 ' A' ' 140' ' ' VAL . 3.1 t80 -137.04 134.14 36.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 59.2 m-85 -126.4 161.96 26.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 1.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.5 mmm-85 -110.54 -13.71 14.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 1.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 39.4 p -136.63 155.54 76.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 1.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -10.6 21.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.78 . . . . 1.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.448 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -159.21 175.46 3.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 110.019 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -32.67 5.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 1.0 111.036 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.87 25.47 10.7 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.515 1.134 . . . . 1.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.04 152.56 21.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 1.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -52.6 170.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 1.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.471 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -98.5 133.61 42.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 1.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.669 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 19.8 m-85 -56.93 -39.15 73.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 1.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.1 pt -143.29 124.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -99.35 110.99 23.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 1.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 75.3 t -40.3 116.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.29 28.65 5.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.085 . . . . 1.0 111.054 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.98 171.08 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 1.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -112.87 113.71 25.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.5 m -107.48 142.76 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 1.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.45 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 95.8 m-20 -124.79 147.54 48.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 1.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.24 109.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.572 1.17 . . . . 1.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.41 -16.49 5.15 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 1.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.87 137.59 33.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 1.0 109.243 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 46.7 m -55.3 176.59 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 1.0 110.444 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.2 tp -136.05 -46.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.445 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.2 p -175.9 -173.08 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 1.0 108.284 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.669 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 17.3 mm -124.32 160.82 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 1.0 109.309 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.3 t -143.0 125.62 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -91.09 137.48 32.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -135.91 -176.13 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 122' ' ' LYS . 1.7 mmt -39.64 93.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 40.02 55.22 2.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ptp -160.41 150.85 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.0 mtm -115.32 124.95 52.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 1.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.411 ' ND2' ' N ' ' A' ' 125' ' ' ASN . 1.4 m-80 -115.77 143.58 45.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -110.69 138.86 46.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mm -103.11 116.47 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -102.96 137.32 41.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -58.04 132.95 55.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -110.17 13.77 23.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 1.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.0 tttt 178.76 112.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.087 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.45 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 58.2 p -39.02 146.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 110.061 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -161.57 -173.16 29.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.18 . . . . 1.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.515 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 6.5 t -142.26 53.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 0.803 . . . . 1.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.1 p 50.71 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -166.78 -47.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 1.0 109.283 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.27 133.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.585 ' CD1' ' CZ ' ' A' ' 93' ' ' ARG . 1.5 mt -100.55 118.73 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -89.84 -36.66 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.369 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.565 HG12 ' CD2' ' A' ' 91' ' ' PHE . 8.8 p -81.42 159.89 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.89 156.01 23.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.62 93.09 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 1.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 120.55 -23.09 8.07 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.536 1.147 . . . . 1.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.61 151.48 83.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.736 . . . . 1.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 158.24 42.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 1.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.496 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 8.7 m -135.8 156.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 1.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -133.08 151.64 52.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 110.261 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.539 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 11.9 t80 -60.2 138.56 57.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 1.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 85.27 -9.13 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 1.0 109.343 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -91.57 141.9 26.3 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 1.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.93 37.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 1.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 146' ' ' VAL . 17.6 mt -124.54 -76.4 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 1.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.452 ' CG2' HG22 ' A' ' 138' ' ' ILE . 4.1 t -129.24 139.56 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.594 1.184 . . . . 1.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 38.6 t -100.53 129.05 51.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 1.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.462 ' CG2' ' HA3' ' A' ' 133' ' ' GLY . 2.4 mp -112.7 167.86 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.0 109.391 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.421 ' HA ' ' CA ' ' A' ' 80' ' ' GLY . 2.2 tt0 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 1.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.554 0.216 . . . . 1.0 111.001 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 16.4 mt-10 -65.2 125.23 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 1.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.465 ' CB ' ' HD3' ' A' ' 73' ' ' PRO . . . 167.93 -54.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.09 58.33 4.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 1.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.03 112.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.14 66.22 8.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.245 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 53.05 177.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 64.7 70.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 1.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 tp -116.3 60.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.6 1.187 . . . . 1.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.9 p -55.35 -59.4 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 110.049 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.37 126.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.555 1.16 . . . . 1.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.505 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -133.35 110.39 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 1.0 109.517 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CD1' HG12 ' A' ' 154' ' ' VAL . 35.9 mm -91.34 116.02 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 81' ' ' HIS . 70.6 t -79.68 117.37 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.083 . . . . 1.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -119.17 129.23 54.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.459 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.4 OUTLIER -57.78 109.77 2.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 110.012 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.51 8.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.501 1.79 . . . . 1.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.2 126.58 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 1.0 111.034 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 146' ' ' VAL . 19.8 t -49.13 150.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 146' ' ' VAL . . . 161.8 -134.06 3.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 1.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 84.8 m -139.17 126.85 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.767 . . . . 1.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.608 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.7 t80 -90.27 133.83 34.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 1.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 40.8 m-85 -130.0 146.69 51.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.465 ' CZ ' HD13 ' A' ' 138' ' ' ILE . 20.5 mmm-85 -95.64 -13.69 24.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 1.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 27.6 p -135.6 155.45 78.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 1.0 110.381 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -25.66 11.66 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.477 1.777 . . . . 1.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.49 177.59 1.77 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 1.0 109.986 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 -41.35 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 1.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -108.11 54.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.44 161.12 35.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 167.02 10.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 1.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -89.47 133.83 34.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.0 109.371 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.571 ' CD1' HG23 ' A' ' 114' ' ' THR . 14.0 m-85 -53.26 -40.82 64.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 1.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 22.8 pt -140.6 125.66 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 1.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' VAL . 18.7 mm-40 -102.0 119.72 39.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 1.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' GLU . 79.2 t -40.42 116.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 1.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.71 14.93 7.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.414 1.071 . . . . 1.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -125.89 165.55 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 1.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 165.39 11.61 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.48 1.112 . . . . 1.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.15 140.29 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 1.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -117.7 146.22 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.41 109.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.45 -11.88 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 1.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.8 137.81 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.571 HG23 ' CD1' ' A' ' 102' ' ' PHE . 61.8 m -66.34 142.15 57.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 1.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.482 ' CD1' ' SG ' ' A' ' 116' ' ' CYS . 1.3 pp -112.64 -31.99 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 1.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.608 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.1 p -177.39 -170.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 1.0 108.217 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 126' ' ' GLN . 24.9 mm -130.62 156.37 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 1.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.94 117.4 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 1.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -99.18 133.17 43.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 1.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -167.24 155.54 9.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 1.0 109.399 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.3 mtp 49.93 31.61 4.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 1.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 59.21 44.67 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -151.07 153.28 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.5 ttp -92.3 137.31 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 1.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -137.05 92.13 2.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 1.0 109.357 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.453 ' HG3' ' CG2' ' A' ' 114' ' ' THR . 29.6 tt0 -65.96 142.61 57.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 1.0 110.313 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 mm -103.47 115.82 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.21 125.78 41.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.64 133.21 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 109.233 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -115.3 15.08 16.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.2 tmtp? -169.94 88.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.09 . . . . 1.0 109.39 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' LYS . 59.8 p -39.3 138.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.52 -173.05 43.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 1.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 5.5 m -111.59 169.07 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 1.0 110.447 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.428 ' N ' ' CG2' ' A' ' 134' ' ' THR . 9.0 p -63.7 141.74 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -121.93 -45.17 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 1.0 109.379 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 163.76 133.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 1.0 109.239 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.468 HG22 ' CG2' ' A' ' 153' ' ' VAL . 1.4 mt -99.85 133.06 44.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 1.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.95 -44.52 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 1.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' A' ' 91' ' ' PHE . 14.4 p -70.66 144.43 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 1.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 143' ' ' GLY . 1.1 tp10 -103.67 140.58 37.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 1.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.6 p -50.18 92.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 1.0 109.975 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 132.26 -24.49 3.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 1.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 148.0 54.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 1.0 110.265 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.09 21.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 1.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 85' ' ' SER . 2.4 m -138.83 159.11 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.405 ' HA ' ' CG2' ' A' ' 88' ' ' VAL . 4.1 tt0 -138.94 173.13 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 15.0 t80 -69.08 114.42 7.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 1.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.31 11.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 1.0 109.319 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.27 145.7 56.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 159.04 41.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.563 1.823 . . . . 1.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 90.0 mt -136.48 -80.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.468 ' CG2' HG22 ' A' ' 138' ' ' ILE . 22.0 t -126.58 154.48 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 82' ' ' ILE . 72.9 t -107.75 122.3 61.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 1.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -115.99 163.77 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.435 1.084 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 11.7 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.47 0.176 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 72' ' ' ALA . 2.6 tp10 -177.5 -59.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 71' ' ' GLU . . . -39.55 99.96 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 1.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.04 91.68 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.559 1.821 . . . . 1.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.83 157.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.52 77.68 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 1.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 74.53 -62.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 1.0 109.316 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.04 59.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.6 tt -174.17 155.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.417 ' HB3' ' CG ' ' A' ' 156' ' ' GLU . 48.1 m -166.26 90.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 110.059 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.61 93.49 0.1 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 1.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.447 ' ND1' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -115.73 101.15 8.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 0.766 . . . . 1.0 109.55 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 154' ' ' VAL . 4.0 mm -82.64 123.8 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 1.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 152' ' ' LEU . 59.6 t -87.77 116.38 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 1.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -106.71 123.24 47.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.469 ' CB ' HD12 ' A' ' 152' ' ' LEU . 4.3 t -55.21 108.69 1.24 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.28 9.13 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.504 1.791 . . . . 1.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 ttp -142.07 154.3 44.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.6 138.79 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.81 -113.76 0.58 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 1.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -136.7 161.5 35.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.382 0.696 . . . . 1.0 110.449 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 140' ' ' VAL . 3.1 t80 -128.18 136.9 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 1.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 50.8 m-85 -132.08 159.7 38.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 1.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.76 -17.59 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 1.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 75.4 p -135.27 155.29 78.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -10.41 21.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 1.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -163.6 178.79 1.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 110.039 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -50.54 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.557 1.82 . . . . 1.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.46 31.84 2.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 1.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -111.51 154.71 24.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 1.0 109.215 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.87 169.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.471 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -106.49 137.61 44.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 1.0 109.292 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD2' HD13 ' A' ' 117' ' ' ILE . 10.7 m-85 -57.9 -40.57 80.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 1.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.408 ' CD1' ' CG1' ' A' ' 109' ' ' VAL . 1.1 tp -132.53 103.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.176 . . . . 1.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -82.34 112.96 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 1.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.1 t -40.06 116.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.78 11.13 17.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 1.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -117.49 167.32 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 1.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 15.2 tttp -111.22 165.02 12.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 1.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.446 ' N ' ' CG ' ' A' ' 108' ' ' LYS . 28.1 m -143.83 142.83 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.458 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 15.8 m-80 -120.94 148.62 43.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.5 p -39.8 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 1.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.48 -19.29 6.32 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.565 1.166 . . . . 1.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.86 135.25 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 0.741 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 102' ' ' PHE . 94.1 m -52.92 172.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.47 1.106 . . . . 1.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 129' ' ' ALA . 0.1 OUTLIER -137.51 -45.43 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 1.0 109.353 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 p -174.09 -172.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 108.272 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.572 HD13 ' CD2' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -126.23 157.92 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 1.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 76.8 t -138.48 116.71 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 1.0 109.26 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.47 126.13 35.45 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 1.0 110.244 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -122.69 -175.88 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 1.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -47.29 91.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 1.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 45.91 41.03 7.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 1.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.413 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -146.17 106.77 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 1.0 111.029 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 ttp -80.72 127.98 33.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 1.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.426 ' O ' ' CG2' ' A' ' 117' ' ' ILE . 3.0 m-80 -126.77 157.57 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -124.76 156.34 37.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 1.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 115' ' ' LEU . 6.8 mm -115.82 116.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 1.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -103.17 126.56 50.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 1.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.46 ' HB3' ' CD2' ' A' ' 115' ' ' LEU . . . -42.12 133.03 3.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 1.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -116.16 12.34 15.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 1.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 4.0 tttt -169.44 93.49 0.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 1.0 109.244 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 72.1 p -38.76 136.7 0.71 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.554 1.159 . . . . 1.0 109.99 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.23 -172.6 41.12 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.536 1.147 . . . . 1.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.8 m -113.22 167.01 10.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.795 . . . . 1.0 110.451 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' A' ' 134' ' ' THR . 9.4 p -63.22 147.34 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -124.98 -48.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 1.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 164.17 134.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.235 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.42 126.1 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 1.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.454 ' CD2' HG21 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -99.49 -42.83 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 91' ' ' PHE . 11.7 p -74.93 137.87 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 1.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 1.2 mt-10 -95.53 104.55 16.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' GLU . 6.5 t -37.6 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 1.0 110.062 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.92 -5.32 6.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 1.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.415 ' NE2' ' H ' ' A' ' 141' ' ' GLU . 1.5 pt20 -97.24 152.4 38.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 1.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 139.33 24.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.584 1.834 . . . . 1.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.464 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 1.1 m -120.54 165.78 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 1.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.46 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.1 mt-10 -133.65 155.46 49.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 1.0 110.373 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 10.3 t80 -61.33 136.88 58.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 110.971 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 83.98 -6.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 1.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.46 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 47.6 mm-40 -87.92 148.44 43.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 110.239 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 169.0 23.57 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 1.0 111.013 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.484 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 28.0 mt -137.56 -81.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.62 160.93 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 1.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 39.4 t -115.75 122.18 68.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 1.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.2 mp -113.13 163.83 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.498 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 20.5 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.559 0.219 . . . . 1.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -166.83 106.38 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 56.7 92.01 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 101.49 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.448 1.762 . . . . 1.0 111.026 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.79 -61.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 1.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.93 125.36 39.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 1.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 62.8 174.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 64.21 109.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 110.299 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 79' ' ' SER . 31.9 mt -89.81 145.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.41 ' N ' HG21 ' A' ' 78' ' ' ILE . 0.5 OUTLIER -111.65 29.74 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 1.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' CA ' ' HG3' ' A' ' 156' ' ' GLU . . . 70.64 128.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 1.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.447 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -128.43 103.22 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 1.0 109.567 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.4 mt -90.2 117.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.447 HG21 ' CE1' ' A' ' 81' ' ' HIS . 27.0 t -66.76 118.21 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.553 1.158 . . . . 1.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -105.88 107.21 18.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 1.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.27 106.51 0.46 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 110.027 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 0.46 8.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 1.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.77 156.37 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 1.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 147' ' ' GLU . 2.8 t -97.57 140.42 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.96 -117.16 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.417 1.073 . . . . 1.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.4 m -131.56 168.28 17.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 1.0 110.464 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.597 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 2.7 t80 -137.37 136.85 38.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 1.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 67.4 m-85 -129.97 151.3 50.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 1.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.476 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 21.6 mmm-85 -97.48 -17.09 19.84 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.097 . . . . 1.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 41.3 p -134.46 155.45 79.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.476 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.2 Cg_endo -75.07 -28.31 9.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.59 1.837 . . . . 1.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.92 178.71 1.37 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 1.0 110.008 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -74.99 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.466 1.772 . . . . 1.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.66 50.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 1.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.71 158.32 42.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 1.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -67.1 171.7 5.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.13 . . . . 1.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -93.85 133.49 37.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 1.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.598 ' CD1' ' CG2' ' A' ' 114' ' ' THR . 25.6 m-85 -58.85 -38.18 78.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 15.8 pt -132.11 91.64 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.06 113.3 14.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.359 1.037 . . . . 1.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.1 116.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.09 11.12 22.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.453 1.096 . . . . 1.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.48 164.63 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.379 0.693 . . . . 1.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.485 ' C ' ' CD ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -112.34 153.95 26.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 23.2 m -129.76 131.11 66.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.403 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 19.0 t-20 -116.18 152.52 33.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.31 108.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 1.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.5 -17.57 8.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.161 . . . . 1.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.71 135.5 33.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 0.805 . . . . 1.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.598 ' CG2' ' CD1' ' A' ' 102' ' ' PHE . 88.8 m -56.26 174.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 tp -136.18 -46.9 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.597 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -178.59 -159.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 1.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.57 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.2 mt -138.59 155.7 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 1.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.415 ' N ' HG21 ' A' ' 117' ' ' ILE . 37.2 t -141.18 124.36 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 1.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -83.24 128.54 34.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.17 155.08 26.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 1.0 109.253 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.4 mmm 47.13 42.47 13.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 1.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 121' ' ' MET . 9.6 ptpp? 48.82 45.73 22.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 1.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.64 144.45 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 1.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.3 mtm -74.55 134.25 42.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 1.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -129.7 103.1 6.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -68.39 155.71 39.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.7 mm -121.18 115.78 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 1.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -93.67 140.56 29.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 1.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.73 133.02 37.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.95 14.42 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -177.25 95.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.403 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.1 p -39.21 129.92 1.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.41 -172.19 26.22 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.423 1.077 . . . . 1.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.4 m -126.74 151.97 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 0.716 . . . . 1.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.462 ' HA ' ' CD1' ' A' ' 155' ' ' ILE . 13.0 p -50.72 137.88 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.505 ' CD ' ' CB ' ' A' ' 156' ' ' GLU . 0.0 OUTLIER -125.04 -41.49 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 163.65 132.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 1.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.476 ' CD1' ' CZ ' ' A' ' 93' ' ' ARG . 1.3 mt -98.76 133.64 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.88 -46.13 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.564 HG12 ' CD2' ' A' ' 91' ' ' PHE . 14.1 p -71.73 163.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 1.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.4 169.71 8.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 1.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.6 t -83.24 87.81 6.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 1.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 124.84 -5.52 8.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 1.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -80.25 149.82 69.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.429 0.723 . . . . 1.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 156.99 42.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.41 1.742 . . . . 1.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.83 162.23 28.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.308 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.469 ' HA ' ' CG1' ' A' ' 88' ' ' VAL . 9.3 pt-20 -137.89 155.79 48.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.475 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 20.5 t80 -57.47 139.52 53.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 11.9 t0 81.26 -2.53 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 109.345 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 7.2 tm-20 -92.74 137.03 24.33 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 1.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 156.97 42.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.462 1.77 . . . . 1.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 64.1 mt -119.93 -80.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 1.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' A' ' 138' ' ' ILE . 40.4 t -117.24 137.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.83 122.76 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 1.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.472 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 15.7 mm -114.91 163.95 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 109.19 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.505 ' CB ' ' CD ' ' A' ' 136' ' ' LYS . 3.2 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 1.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 36.9 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.505 0.193 . . . . 1.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 60.82 66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.77 154.54 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 1.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.28 2.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.804 . . . . 1.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.61 -63.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 1.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.09 168.71 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 59.41 103.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 1.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 68.86 154.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 1.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 79' ' ' SER . 12.1 mt -83.69 -68.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 1.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER 80.79 36.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 1.0 109.986 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.32 121.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.117 . . . . 1.0 110.96 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -113.63 156.36 23.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 1.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.58 116.18 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 1.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.2 t -83.01 119.98 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 1.0 109.239 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -111.79 128.1 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 1.0 110.231 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.459 ' HB3' ' CG2' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -50.2 106.36 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.056 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.4 8.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 1.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.6 ptp -166.45 134.48 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 1.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.46 HG23 ' CG ' ' A' ' 147' ' ' GLU . 25.8 t -62.3 138.04 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.75 -145.99 9.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 1.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 23.6 m -121.09 121.16 37.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 1.0 110.344 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.607 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 10.1 t80 -85.97 132.22 34.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 48.5 m-85 -128.84 142.91 50.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.069 . . . . 1.0 110.997 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -92.8 -15.71 26.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 1.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 66.5 p -132.04 155.46 81.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 110.405 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -29.3 8.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 1.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -142.65 178.67 1.41 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 1.0 109.966 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.12 -48.31 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 1.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -95.71 43.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 1.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.51 148.74 49.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 1.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.34 169.61 2.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 1.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -87.48 133.28 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 1.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CE1' HG22 ' A' ' 114' ' ' THR . 10.0 m-85 -52.5 -41.12 63.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 pp -141.69 108.59 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 1.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -87.53 126.64 35.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 1.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 56.1 t -40.29 116.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.03 9.1 13.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 1.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -115.42 168.08 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 1.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.81 175.58 5.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 1.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.3 m -150.74 142.64 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 1.0 109.245 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -125.93 148.16 49.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.42 108.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.59 2.85 12.93 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.115 . . . . 1.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.1 136.47 47.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 1.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.568 HG22 ' CE1' ' A' ' 102' ' ' PHE . 87.2 m -62.71 141.38 58.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.73 -32.92 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 1.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.607 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 30.0 p -179.98 -165.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 108.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.467 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 3.9 mt -138.92 155.76 27.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.4 ' N ' HG21 ' A' ' 117' ' ' ILE . 59.4 t -135.48 122.98 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -96.44 122.22 39.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 1.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -165.36 171.77 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 15.5 ptm 42.54 45.93 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 1.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 41.61 51.64 3.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 1.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.15 155.38 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 1.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.6 mtm -83.47 144.58 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 1.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -139.42 93.06 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 1.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -64.15 157.17 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 1.0 110.259 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.5 mm -117.3 115.99 50.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 1.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.32 126.15 42.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 1.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.44 133.15 1.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 1.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.69 15.95 14.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 1.0 109.208 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 7.9 tttm -174.28 89.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' LYS . 82.8 p -39.4 138.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 1.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 178.12 -175.12 47.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 1.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.4 160.27 18.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 0.781 . . . . 1.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.0 p -50.79 161.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 1.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -146.72 -48.11 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.61 133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.47 ' CG2' HG12 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -105.87 121.9 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -91.09 -40.37 11.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 1.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 91' ' ' PHE . 9.4 p -87.05 139.42 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 1.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.28 149.33 24.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.2 p -49.25 99.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 1.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 123.85 -35.56 3.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 1.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.64 134.9 45.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 1.0 110.364 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 157.78 42.63 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.528 1.804 . . . . 1.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.0 m -136.95 157.89 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 1.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.477 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 1.9 tt0 -127.54 167.95 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 110.25 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 21.3 t80 -65.22 128.41 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 84.31 3.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.477 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 57.4 mm-40 -89.03 151.15 46.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 1.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 161.56 38.68 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.486 1.782 . . . . 1.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 146' ' ' VAL . 67.6 mt -129.84 -81.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.47 HG12 ' CG2' ' A' ' 138' ' ' ILE . 12.5 t -134.38 144.28 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 1.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 67.1 t -97.58 122.97 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -107.8 163.73 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 13.1 pt-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 1.0 110.26 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.1 mmm . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.545 0.212 . . . . 1.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.2 72.94 7.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 1.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.68 92.03 27.72 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 1.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.782 . . . . 1.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 74.5 -61.97 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.228 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 72.2 -62.06 0.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 1.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.23 131.02 54.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 1.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.503 ' O ' ' CG2' ' A' ' 78' ' ' ILE . 2.2 mm-40 -138.53 170.83 15.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 1.0 110.354 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 77' ' ' GLU . 4.3 tt 51.8 177.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.78 75.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 1.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -37.77 157.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 1.0 110.975 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 81' ' ' HIS . 0.3 OUTLIER -124.82 129.15 49.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 0.709 . . . . 1.0 109.649 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.8 mp -102.49 116.33 45.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 1.0 109.307 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 152' ' ' LEU . 21.9 t -73.73 118.39 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 1.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -105.81 123.74 48.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.451 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.1 OUTLIER -43.29 102.5 0.28 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 1.0 109.951 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.5 8.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 1.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 mtp -163.02 126.36 2.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.9 t -59.98 139.22 19.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.37 -125.67 1.47 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.458 1.099 . . . . 1.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 87.4 m -126.76 167.42 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 1.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 140' ' ' VAL . 2.9 t80 -139.95 137.68 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.512 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 57.7 m-85 -129.15 157.86 40.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 111.021 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -106.16 -13.65 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 1.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 43.5 p -135.39 155.67 78.43 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 1.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.05 20.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 1.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.465 ' CB ' ' HB1' ' A' ' 99' ' ' ALA . 0.2 OUTLIER -158.3 172.8 5.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 110.033 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.04 -32.95 4.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 1.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -113.79 23.18 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.465 ' HB1' ' CB ' ' A' ' 96' ' ' SER . . . -101.84 158.8 15.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 1.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 173.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -93.51 133.08 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.659 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 16.1 m-85 -54.12 -39.64 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.413 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -136.44 117.37 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 1.0 109.386 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 1.4 mt-10 -91.24 110.92 22.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 1.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' GLU . 96.3 t -40.3 116.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.96 29.81 5.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 1.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -120.86 171.09 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.77 . . . . 1.0 110.35 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.0 127.21 53.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.1 m -124.6 144.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.462 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 6.8 m120 -127.14 147.78 50.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 131' ' ' LYS . 3.2 t -40.17 108.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 1.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.67 -15.62 5.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.412 1.07 . . . . 1.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.91 134.05 34.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 1.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.498 ' CG2' ' CG ' ' A' ' 126' ' ' GLN . 11.3 m -57.46 144.58 36.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 1.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.468 ' CD2' HD12 ' A' ' 155' ' ' ILE . 2.7 mt -111.76 -30.43 7.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 p 176.47 -172.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.659 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 16.9 mm -126.96 159.47 36.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 127' ' ' ILE . 2.9 t -142.58 128.56 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.097 . . . . 1.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.452 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.5 tt0 -92.18 140.99 29.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 1.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -138.23 -175.96 4.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.7 mmm -43.19 92.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 120' ' ' ALA . 2.9 mtmp? 40.15 48.51 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.3 ttp -157.12 124.43 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 1.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.3 ttm -88.35 136.91 32.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.486 ' N ' HD21 ' A' ' 125' ' ' ASN . 0.9 OUTLIER -128.53 146.37 50.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.498 ' CG ' ' CG2' ' A' ' 114' ' ' THR . 0.3 OUTLIER -117.81 139.3 51.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' A' ' 118' ' ' VAL . 1.0 OUTLIER -104.04 117.6 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' ALA . 1.2 pm0 -102.47 126.34 49.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' GLU . . . -40.23 132.93 1.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 1.0 109.37 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.91 11.32 30.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.411 ' N ' HG21 ' A' ' 111' ' ' VAL . 18.4 ttmt -176.49 106.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.138 . . . . 1.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.462 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 53.6 p -39.1 152.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 109.943 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.32 -173.27 40.94 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.532 1.145 . . . . 1.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.517 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 3.5 m -133.56 59.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 1.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.7 p 50.67 177.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.468 ' HD3' ' CG ' ' A' ' 156' ' ' GLU . 1.0 OUTLIER -165.3 -50.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 109.364 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 171.61 136.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.45 ' CG2' HG23 ' A' ' 153' ' ' VAL . 1.7 mm -98.97 138.76 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -106.23 -47.68 3.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 1.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.574 HG12 ' CE2' ' A' ' 91' ' ' PHE . 7.5 p -72.41 168.41 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.409 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 1.3 tp10 -117.98 160.96 20.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 1.0 110.244 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.4 t -74.63 102.81 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.512 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 105.98 -5.77 39.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 1.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.32 150.07 76.53 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 1.0 110.35 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 159.27 41.74 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.517 1.799 . . . . 1.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.459 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.2 m -139.37 157.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 1.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.464 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 1.8 mt-10 -130.34 155.51 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 14.5 t80 -62.45 135.6 57.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 9.2 t70 83.63 -6.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.464 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 29.9 mm-40 -87.6 149.24 45.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.43 40.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.422 1.748 . . . . 1.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 146' ' ' VAL . 82.4 mt -132.51 -81.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.573 1.17 . . . . 1.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.45 HG23 ' CG2' ' A' ' 138' ' ' ILE . 55.5 t -119.6 150.61 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.465 HG21 ' CD2' ' A' ' 139' ' ' LEU . 43.6 t -116.59 131.3 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 109.361 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 24.9 mt -124.97 164.24 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.3 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.9 ptp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.551 0.215 . . . . 1.0 111.053 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 73' ' ' PRO . 38.2 mm-40 -116.6 -35.64 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 1.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' GLU . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.96 -29.5 8.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.582 1.833 . . . . 1.0 111.079 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.13 108.7 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 1.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.55 -81.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -175.7 81.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.393 1.058 . . . . 1.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 131' ' ' LYS . 1.4 tt0 173.87 50.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 1.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' SER . 4.6 pt 43.72 27.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 1.0 109.239 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' ILE . 5.2 t 39.22 64.55 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 1.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.54 107.61 1.73 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -104.38 156.84 17.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.611 0.83 . . . . 1.0 109.605 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.429 HD12 ' CG1' ' A' ' 154' ' ' VAL . 6.2 mm -132.15 115.79 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 1.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 152' ' ' LEU . 57.8 t -81.14 116.42 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 1.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -105.11 125.09 50.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.426 1.078 . . . . 1.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -45.46 105.88 0.5 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 1.0 110.05 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.6 8.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 1.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.05 132.84 5.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.9 t -66.5 140.3 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.29 -122.69 1.18 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 1.0 111.065 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.422 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 98.7 m -129.14 169.0 15.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 1.0 110.385 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.581 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.7 t80 -139.61 135.62 33.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 69.0 m-85 -128.42 159.73 34.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.457 ' CZ ' HD13 ' A' ' 138' ' ' ILE . 5.0 mmm-85 -109.2 -14.23 14.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 1.0 110.333 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 63.2 p -132.99 155.42 81.16 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 1.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -28.69 8.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.577 1.83 . . . . 1.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -144.58 178.65 1.38 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 1.0 110.018 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.96 -50.86 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.459 1.768 . . . . 1.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -93.92 45.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.86 165.8 18.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 1.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -75.79 169.05 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 1.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -89.87 133.13 34.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 1.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CE1' HG22 ' A' ' 114' ' ' THR . 13.4 m-85 -54.83 -39.95 69.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.446 1.091 . . . . 1.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.8 tt -140.31 100.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.5 OUTLIER -85.79 125.91 33.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' GLU . 54.4 t -39.7 116.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 108.69 22.87 6.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.59 1.181 . . . . 1.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.8 164.55 21.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 0.818 . . . . 1.0 110.271 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.401 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 55.7 tttm -113.8 167.93 10.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 108' ' ' LYS . 34.7 m -148.21 148.99 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 1.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.2 m-80 -127.45 146.65 50.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.45 1.094 . . . . 1.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.1 t -39.91 108.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 1.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.25 -16.18 7.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.424 1.078 . . . . 1.0 111.048 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.54 138.11 31.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 0.795 . . . . 1.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 102' ' ' PHE . 90.5 m -58.61 141.69 51.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 1.0 110.442 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.497 ' CD1' ' SG ' ' A' ' 116' ' ' CYS . 0.4 OUTLIER -112.64 -32.64 6.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 115' ' ' LEU . 19.8 p 176.82 -170.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 1.0 108.357 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.447 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.5 mt -133.3 156.82 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.452 ' CG2' HD13 ' A' ' 127' ' ' ILE . 3.4 t -137.99 133.55 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.422 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.4 tt0 -95.25 131.09 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 1.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -169.85 167.09 9.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 1.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.2 ptp 42.51 45.47 3.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 1.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.36 51.68 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.47 154.55 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 111.028 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 mtt -78.0 144.78 36.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 110.964 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.4 97.19 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -69.72 155.12 41.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.453 ' CG2' HD22 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -117.69 117.67 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 1.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -93.68 114.59 26.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.04 133.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -122.31 11.77 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.466 ' HD3' ' CG ' ' A' ' 77' ' ' GLU . 2.2 tttt -154.54 83.11 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 1.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 56.0 p -38.84 137.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.94 -175.3 46.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 1.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.9 m -114.64 169.34 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 1.0 110.385 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.47 ' N ' ' CG2' ' A' ' 134' ' ' THR . 8.1 p -62.19 159.29 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.463 ' CE ' HG13 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -145.48 -47.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.365 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 169.91 132.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 1.0 109.271 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.457 HD13 ' CZ ' ' A' ' 93' ' ' ARG . 0.6 OUTLIER -101.24 132.0 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -100.17 -46.63 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.581 HG12 ' CD2' ' A' ' 91' ' ' PHE . 7.1 p -76.88 153.39 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.17 167.9 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 1.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.0 t -79.87 88.56 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.393 1.058 . . . . 1.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.81 -5.49 7.94 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.575 1.172 . . . . 1.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.43 150.94 71.42 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.505 0.768 . . . . 1.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.44 42.18 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 1.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.44 158.17 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 1.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.459 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 3.3 mt-10 -131.91 150.51 52.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 8.4 t80 -61.41 136.77 58.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 1.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.8 t70 84.77 -7.65 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.9 mt-10 -91.43 149.24 39.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 163.21 35.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.539 1.81 . . . . 1.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 69.0 mt -132.1 -80.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.419 ' CG2' HG22 ' A' ' 138' ' ' ILE . 23.1 t -120.22 149.01 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.463 HG13 ' CE ' ' A' ' 136' ' ' LYS . 19.1 t -105.23 119.78 54.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.6 mp -103.1 163.93 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 1.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.468 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.558 0.218 . . . . 1.0 110.999 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 70' ' ' MET . 6.6 pt-20 47.22 -173.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 1.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.81 92.0 0.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 168.89 23.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.552 1.817 . . . . 1.0 111.063 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 44.75 65.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.66 163.69 8.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.71 -61.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 1.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -149.85 75.67 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.4 tp 40.97 64.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 1.0 109.349 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.479 ' CB ' ' C ' ' A' ' 156' ' ' GLU . 0.4 OUTLIER -43.2 -80.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 1.0 110.037 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' SER . . . -37.19 95.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 1.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.479 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -128.8 103.44 7.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 1.0 109.593 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.453 HG13 ' CG1' ' A' ' 154' ' ' VAL . 4.3 mp -90.98 120.89 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 1.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.479 HG21 ' CE1' ' A' ' 81' ' ' HIS . 97.6 t -74.66 121.83 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -100.8 115.64 30.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 1.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.458 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.4 OUTLIER -40.6 100.7 0.22 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 1.0 110.03 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 1.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.9 ttt -150.8 123.98 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 1.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 147' ' ' GLU . 3.4 t -70.75 140.05 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.62 -118.59 0.87 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.429 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 69.4 m -124.84 167.84 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 1.0 110.389 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 140' ' ' VAL . 2.9 t80 -140.9 135.7 31.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 1.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.517 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.4 m-85 -127.52 155.28 44.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -103.04 -13.45 16.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 1.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 73.0 p -130.22 155.54 80.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 1.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -23.21 13.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 1.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.479 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -149.14 176.87 2.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.995 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 1.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.55 35.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.23 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.35 146.79 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 1.0 109.354 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -63.91 167.44 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 1.0 109.28 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.465 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -77.4 132.89 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.558 ' CD1' HG23 ' A' ' 114' ' ' THR . 7.4 m-85 -47.87 -42.91 27.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.181 . . . . 1.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 3.1 mp -138.21 120.51 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 9.9 tp10 -86.57 117.22 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 1.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 138' ' ' ILE . 77.0 t -39.74 116.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.4 5.35 16.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 1.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -112.62 171.11 7.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 1.0 110.287 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.43 165.36 12.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 1.0 109.256 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.1 137.87 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.434 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 2.3 t-20 -119.6 150.88 39.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.27 109.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.4 -19.82 6.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 1.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.05 136.01 33.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 0.798 . . . . 1.0 109.369 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.558 HG23 ' CD1' ' A' ' 102' ' ' PHE . 88.8 m -60.95 155.27 20.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 1.0 110.419 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 103' ' ' ILE . 2.9 tp -120.02 -41.12 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.418 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.4 p 176.97 -173.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 118' ' ' VAL . 27.2 mt -128.2 158.28 40.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 1.0 109.234 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.469 ' CG2' HD12 ' A' ' 127' ' ' ILE . 25.5 t -139.62 132.27 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.429 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.0 tt0 -93.89 130.7 39.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 1.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.96 150.09 27.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 1.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 53.51 19.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.39 41.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -151.86 146.49 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 1.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 mtm -81.92 131.94 35.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.972 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -132.01 110.03 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -73.54 154.27 39.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 1.0 110.26 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 118' ' ' VAL . 1.8 mt -121.22 116.56 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -93.11 129.12 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 1.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -48.37 133.08 16.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 1.0 109.25 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -121.39 17.78 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 1.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -168.61 88.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.434 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 83.0 p -39.18 137.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -166.24 -172.14 33.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.092 . . . . 1.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -126.63 141.42 51.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 1.0 110.396 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.425 ' HA ' ' CD1' ' A' ' 155' ' ' ILE . 13.3 p -40.14 159.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 1.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -149.65 -45.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.452 1.095 . . . . 1.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 170.46 132.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -102.2 125.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -92.29 -44.16 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 1.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 91' ' ' PHE . 14.6 p -79.92 156.93 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -112.23 173.52 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 1.0 110.254 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.8 t -80.42 97.51 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 1.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.517 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.98 -5.6 23.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 1.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.99 150.28 80.91 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 1.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 161.33 38.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 1.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 152' ' ' LEU . 15.8 m -143.03 157.58 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.462 ' HA ' ' CG1' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -136.97 159.11 42.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 110.288 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 16.8 t80 -60.85 136.92 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 111.057 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 82.69 -6.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.389 1.056 . . . . 1.0 109.351 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -88.32 138.8 30.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 155.2 43.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.434 1.755 . . . . 1.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 146' ' ' VAL . 59.8 mt -117.94 -81.38 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 21.1 t -119.74 138.25 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 1.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.468 ' CG2' HD22 ' A' ' 139' ' ' LEU . 36.1 t -96.59 129.24 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 1.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 9.2 mm -118.7 163.85 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 72' ' ' ALA . 14.2 mmm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.494 0.188 . . . . 1.0 111.067 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 68.6 -65.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 1.0 110.322 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' MET . . . -114.71 92.03 27.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.403 1.064 . . . . 1.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.8 4.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 1.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 44.35 78.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.427 1.08 . . . . 1.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -174.66 72.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.35 -61.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.33 169.55 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mm 63.5 127.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.9 p -179.4 71.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 1.0 110.005 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.412 ' N ' ' HA ' ' A' ' 156' ' ' GLU . . . 136.33 101.72 0.63 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 1.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -147.39 130.4 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 1.0 109.641 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.09 124.61 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 1.0 109.278 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.0 t -83.07 135.06 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.617 1.198 . . . . 1.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.85 126.52 47.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 1.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.1 OUTLIER -39.1 99.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 110.021 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 1.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.16 112.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 147' ' ' GLU . 46.5 t -50.05 137.92 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 1.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.21 -134.02 3.22 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.524 1.14 . . . . 1.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 11.5 m -125.34 122.07 35.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 0.747 . . . . 1.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.4 t80 -88.98 130.66 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 1.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 52.3 m-85 -126.7 144.08 51.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -91.81 -17.76 24.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 1.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 73.4 p -132.64 155.44 81.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.54 13.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 1.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.32 170.74 7.2 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.86 13.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.428 1.751 . . . . 1.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -113.88 32.5 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 1.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.7 143.8 49.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 1.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -51.22 -179.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -100.43 133.12 45.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CE1' HG22 ' A' ' 114' ' ' THR . 13.0 m-85 -55.16 -39.84 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 1.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.461 HD11 ' CG1' ' A' ' 109' ' ' VAL . 1.9 tp -137.91 106.93 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 2.4 tt0 -90.99 123.16 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 1.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 104' ' ' GLU . 60.7 t -40.11 116.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.57 23.85 6.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 1.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.85 165.08 22.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 1.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -108.38 175.22 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 1.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 103' ' ' ILE . 15.5 m -150.45 140.04 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -118.06 142.75 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 1.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.56 109.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 1.0 109.26 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.47 4.8 10.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 1.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.42 135.6 47.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 1.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 102' ' ' PHE . 85.8 m -57.81 141.33 49.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 127' ' ' ILE . 3.9 pp -113.46 -32.54 6.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.67 -168.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 1.0 108.322 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.46 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.9 mt -135.96 145.62 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 1.0 109.323 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.41 ' N ' HG21 ' A' ' 117' ' ' ILE . 82.0 t -125.4 120.72 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -98.44 126.12 43.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 1.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.62 175.96 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 1.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.5 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 23.0 ptm 42.45 46.41 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 41.95 51.5 4.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 24.9 tpp -171.16 144.97 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.6 131.6 37.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 1.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.446 ' O ' ' CG2' ' A' ' 117' ' ' ILE . 30.1 m-80 -125.16 151.3 45.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 1.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -107.52 153.41 22.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.467 HG21 ' CD2' ' A' ' 115' ' ' LEU . 4.8 mm -114.89 116.53 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -95.65 122.25 38.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 1.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.45 133.16 1.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 1.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.463 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 47.4 t0 -117.14 14.53 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 1.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 130' ' ' ASP . 3.1 mptt -163.33 83.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 27.2 p -39.34 144.77 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 1.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 169.31 -173.1 43.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 1.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.453 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 4.0 m -108.84 170.41 8.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 1.0 110.411 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.453 ' N ' ' CG2' ' A' ' 134' ' ' THR . 8.0 p -61.09 152.41 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.482 1.113 . . . . 1.0 109.369 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -133.99 -47.52 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 1.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 166.56 133.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.464 ' CG2' HG12 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -102.58 130.71 52.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 1.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.27 -45.28 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 1.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 91' ' ' PHE . 13.4 p -75.29 140.04 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -100.99 134.12 44.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 110.297 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.9 p -44.43 95.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 1.0 109.963 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 131.6 -34.34 2.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 1.0 110.99 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.95 145.86 78.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 1.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.31 27.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 1.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 152' ' ' LEU . 16.5 m -148.77 163.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.422 ' HA ' ' CG2' ' A' ' 88' ' ' VAL . 1.2 pt-20 -146.5 168.75 20.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 2.8 t80 -62.81 135.6 57.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.32 -7.69 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 1.0 109.343 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 151' ' ' PRO . 0.0 OUTLIER -86.41 143.39 36.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 1.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . 0.405 ' O ' ' OE2' ' A' ' 150' ' ' GLU . 18.2 Cg_endo -74.95 158.46 42.36 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.57 1.826 . . . . 1.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 146' ' ' VAL . 92.8 mt -126.01 -80.27 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 1.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.464 HG12 ' CG2' ' A' ' 138' ' ' ILE . 6.8 t -133.83 139.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.204 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 17.4 t -91.56 123.99 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -114.92 161.35 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 1.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 14.4 tt0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 1.0 110.283 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.541 0.21 . . . . 1.0 110.977 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -62.1 160.23 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 1.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 71' ' ' GLU . . . 40.53 74.85 0.66 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 1.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 178.8 6.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.791 . . . . 1.0 111.003 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.43 -61.16 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 1.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.2 62.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 1.0 109.378 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 61.93 144.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 1.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 179.26 116.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -135.71 43.71 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 42.1 86.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 1.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -40.41 161.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 1.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.519 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.1 121.31 21.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 0.781 . . . . 1.0 109.538 -179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.05 117.0 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.519 HG21 ' CE1' ' A' ' 81' ' ' HIS . 8.0 t -66.77 117.17 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 1.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.07 118.84 33.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 1.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -44.68 103.28 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 110.021 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 0.51 8.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.785 . . . . 1.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.18 139.34 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 1.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 t -74.83 142.17 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 1.0 109.317 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.26 -121.48 1.07 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.103 . . . . 1.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.8 m -130.92 170.85 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 1.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CD2' HG12 ' A' ' 140' ' ' VAL . 4.3 t80 -138.21 144.31 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.564 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.3 m-85 -138.73 158.85 43.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 1.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -114.32 -16.98 11.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 1.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.475 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 82.5 p -133.57 155.23 80.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 110.418 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.72 19.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.469 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -152.54 176.1 2.58 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 1.0 110.023 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 1.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.38 26.26 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 1.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.6 158.68 16.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.324 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -64.47 167.2 7.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.475 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -95.52 135.21 37.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 1.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 114' ' ' THR . 9.1 m-85 -53.85 -41.27 67.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 1.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.88 118.59 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.89 116.3 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -40.3 116.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 1.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.99 23.66 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 1.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.25 166.05 20.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 0.778 . . . . 1.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 7.3 ttpt -109.16 167.13 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.432 ' N ' ' CG ' ' A' ' 108' ' ' LYS . 15.4 m -145.17 147.8 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.607 1.192 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.465 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.3 m-80 -123.04 141.79 51.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 1.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.36 108.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.87 -7.29 6.89 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.451 1.095 . . . . 1.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.87 138.52 40.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.797 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.686 ' HG1' ' NE2' ' A' ' 126' ' ' GLN . 86.6 m -59.1 141.73 53.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 tp -113.48 -32.22 6.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 1.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.7 p -179.71 -162.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 108.312 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.511 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mt -143.85 158.7 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.472 ' CG2' HD12 ' A' ' 127' ' ' ILE . 3.2 t -144.4 129.27 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -87.25 138.03 31.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 1.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -161.11 148.15 15.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 89.6 mtp 54.43 19.9 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 1.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 38.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.9 tpp -152.88 136.98 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 1.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -70.07 134.41 48.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 1.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -131.51 104.89 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.686 ' NE2' ' HG1' ' A' ' 114' ' ' THR . 29.8 tt0 -67.55 148.02 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.472 HD12 ' CG2' ' A' ' 118' ' ' VAL . 1.9 mt -116.74 116.44 52.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -90.82 137.84 32.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 1.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.12 133.16 19.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.13 14.24 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.229 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -179.23 99.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.7 p -39.29 146.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 110.012 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.62 -173.06 45.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 1.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 31.5 m -115.85 171.65 7.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 1.0 110.357 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.4 p -60.43 164.85 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.367 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -147.83 -50.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.563 1.164 . . . . 1.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 171.17 140.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 1.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.473 ' CD1' ' CG1' ' A' ' 153' ' ' VAL . 4.4 mm -106.07 115.75 48.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -86.92 -44.91 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 1.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 91' ' ' PHE . 11.7 p -88.75 138.64 18.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -89.05 176.49 6.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 1.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.5 t -83.56 87.73 7.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 1.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.564 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 130.78 -5.39 5.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.406 1.066 . . . . 1.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -80.01 149.82 70.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 1.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 161.33 39.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 1.0 111.048 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.47 HG13 ' CD2' ' A' ' 152' ' ' LEU . 11.7 m -139.23 156.96 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.459 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 0.5 OUTLIER -133.52 152.61 51.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 110.265 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 16.0 t80 -61.99 135.86 57.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 1.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.1 t70 82.94 -5.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 28.0 mm-40 -90.73 150.23 41.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.79 39.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.56 1.821 . . . . 1.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 146' ' ' VAL . 70.4 mt -119.04 -81.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.5 HG22 ' CZ ' ' A' ' 91' ' ' PHE . 59.5 t -123.84 153.61 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 36.4 t -107.4 121.91 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -111.92 164.23 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 1.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.506 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.6 tt0 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.482 0.182 . . . . 1.0 111.023 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 65.7 81.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.83 92.01 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 1.0 109.37 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -39.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 1.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 58.77 69.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.5 156.7 34.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 1.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.25 -61.8 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.93 74.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.303 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.4 tt -41.1 -61.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.5 p 39.76 89.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 1.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -47.8 176.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 1.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -137.28 123.59 20.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 1.0 109.603 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.489 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 9.5 mm -88.87 122.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.9 t -88.2 116.35 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 1.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -102.73 115.87 31.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 1.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.38 107.16 0.45 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 110.024 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.53 8.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 1.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 ptp -159.44 145.1 15.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 1.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.47 140.46 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.15 -125.2 1.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.435 1.084 . . . . 1.0 111.003 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.429 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 51.7 m -124.66 167.06 15.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 1.0 110.341 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.569 ' CD1' HG11 ' A' ' 140' ' ' VAL . 3.7 t80 -140.58 128.03 21.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 1.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 79.3 m-85 -120.03 168.55 11.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.421 ' NH1' HD13 ' A' ' 138' ' ' ILE . 7.9 mtm180 -114.0 -13.73 12.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 1.0 110.233 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 74.5 p -133.47 155.46 80.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 110.399 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.21 15.03 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.428 1.752 . . . . 1.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.485 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -150.0 177.58 1.79 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 1.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -98.12 36.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 1.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.45 156.77 26.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -65.51 166.84 9.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -89.38 133.23 34.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 1.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.556 ' CE2' HG13 ' A' ' 117' ' ' ILE . 19.3 m-85 -56.34 -39.1 72.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 1.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.451 ' CD1' HG12 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -148.15 111.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.49 129.55 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 1.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.8 t -40.36 116.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.266 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 110.81 24.83 5.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.132 . . . . 1.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -129.79 167.47 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 0.751 . . . . 1.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 172.94 6.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 1.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 115' ' ' LEU . 15.8 m -149.17 143.2 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 1.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -121.61 145.62 47.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.27 108.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 1.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.19 25.17 4.22 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 1.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.58 135.0 48.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 1.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.522 HG23 ' CD1' ' A' ' 102' ' ' PHE . 60.1 m -58.47 142.31 49.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 1.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 109' ' ' VAL . 2.8 tp -112.32 -32.29 6.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.445 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.5 p 175.95 -173.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.556 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.6 mt -126.13 161.2 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 1.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.469 ' CG2' HD12 ' A' ' 127' ' ' ILE . 9.9 t -147.82 130.66 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.429 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.7 tt0 -87.22 126.62 34.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -155.75 149.25 24.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.6 mmm 47.12 42.31 12.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 121' ' ' MET . 17.3 ptmt 48.99 45.87 22.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.231 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.65 139.6 10.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 1.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.6 mmm -67.18 137.17 56.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 1.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -132.52 105.66 7.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.455 ' HG3' ' CG2' ' A' ' 114' ' ' THR . 15.3 tt0 -75.59 147.42 39.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 1.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 118' ' ' VAL . 2.4 mt -111.04 116.22 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -92.6 125.24 37.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.45 133.01 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.02 14.62 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 1.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 8.7 tttt -173.72 92.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 1.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' LYS . 70.4 p -39.23 142.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 1.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 173.76 -173.21 45.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.578 1.173 . . . . 1.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -116.15 167.31 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 1.0 110.44 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.49 ' N ' ' CG2' ' A' ' 134' ' ' THR . 11.8 p -52.83 162.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 1.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -149.34 -48.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 1.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.67 133.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.452 HG22 ' CG2' ' A' ' 153' ' ' VAL . 1.8 mt -105.04 115.65 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 1.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -81.69 -45.24 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 1.0 109.362 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 91' ' ' PHE . 7.9 p -90.83 139.14 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -94.22 173.91 7.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.86 97.95 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 1.0 109.989 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.1 -36.73 2.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 1.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -48.92 151.2 2.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.583 0.814 . . . . 1.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 1.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.419 HG13 ' CD2' ' A' ' 152' ' ' LEU . 22.5 m -150.45 157.26 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.06 . . . . 1.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.408 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 44.2 tt0 -139.47 149.38 43.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 1.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 13.1 t80 -60.23 138.49 57.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 1.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.5 t70 83.84 -6.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.2 mt-10 -95.06 147.35 32.89 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 1.0 110.222 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 154.71 43.14 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.485 1.781 . . . . 1.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.419 ' CD2' HG13 ' A' ' 146' ' ' VAL . 19.7 mt -117.48 -71.78 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 109.219 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.452 ' CG2' HG22 ' A' ' 138' ' ' ILE . 43.6 t -134.82 144.56 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.489 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 22.0 t -100.94 122.09 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.9 mp -108.63 163.08 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.491 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.4 pt-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 1.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.5 mtp . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.495 0.188 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.14 79.29 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 1.0 110.267 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' N ' ' CD ' ' A' ' 73' ' ' PRO . . . -46.24 -53.48 22.68 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 1.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.03 139.72 24.53 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.473 1.775 . . . . 1.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 63.93 61.53 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 1.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -179.43 -173.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 1.0 109.237 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.03 -166.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.411 ' CB ' HD13 ' A' ' 78' ' ' ILE . 0.7 OUTLIER 65.65 179.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 110.357 -179.95 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.465 ' O ' ' CB ' ' A' ' 79' ' ' SER . 0.5 OUTLIER 50.97 -141.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.325 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER 162.3 43.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.979 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . 50.19 178.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 1.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 80' ' ' GLY . 3.9 m-70 -140.91 108.41 5.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 1.0 109.531 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.423 ' CG1' HG11 ' A' ' 154' ' ' VAL . 96.7 mt -84.26 135.46 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.222 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.3 t -106.39 118.04 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 1.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' SER . 9.8 mtt180 -95.67 126.39 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 110.384 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.414 ' CB ' HG22 ' A' ' 146' ' ' VAL . 0.3 OUTLIER -38.69 104.84 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.026 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 0.46 8.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.441 1.758 . . . . 1.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.28 126.63 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 1.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.6 t -64.43 138.37 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 1.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.01 -124.04 1.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.573 1.17 . . . . 1.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.4 m -128.68 167.47 17.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 0.776 . . . . 1.0 110.398 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.0 t80 -137.3 134.76 36.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.1 m-85 -126.2 155.74 41.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -104.48 -13.72 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 1.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 38.8 p -134.71 155.96 79.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 1.0 110.446 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.4 11.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 1.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.461 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -144.88 175.64 2.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 109.97 179.923 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 -38.29 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -107.89 44.62 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 1.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.08 160.16 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 1.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 164.86 24.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -78.15 132.94 37.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.547 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 12.1 m-85 -49.97 -40.85 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 1.0 111.059 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -134.93 127.69 48.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 1.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -97.86 112.46 24.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' GLU . 65.1 t -40.5 116.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 1.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.47 32.04 4.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 1.0 111.054 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -122.23 171.13 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 1.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -107.73 118.66 37.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 109.245 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.9 m -116.97 138.06 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 1.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 13.7 m120 -131.11 153.13 49.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.2 t -40.32 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.51 -23.45 4.26 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.503 1.127 . . . . 1.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.27 138.43 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 0.792 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.2 m -64.53 150.58 46.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.427 ' O ' ' CG2' ' A' ' 103' ' ' ILE . 1.4 tp -115.09 -36.79 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.603 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.75 -169.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 108.314 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.547 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 16.1 mm -131.42 159.04 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.47 ' CG2' HD12 ' A' ' 127' ' ' ILE . 3.0 t -144.55 130.65 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -88.59 135.19 33.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 1.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -177.32 169.65 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.2 ptp 42.52 45.76 3.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.128 . . . . 1.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.1 mttt 41.47 51.78 3.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.83 161.56 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.8 mtm -79.16 142.07 36.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -133.81 99.75 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.453 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -72.8 144.54 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.268 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 118' ' ' VAL . 3.2 mt -108.34 115.86 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 1.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -90.72 134.94 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 1.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.45 133.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 1.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 131' ' ' LYS . 41.2 m-20 -110.33 14.87 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 130' ' ' ASP . 9.2 mttt 169.67 104.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 52.5 p -39.08 149.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 1.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.55 -173.17 40.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 1.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.514 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 18.4 m -131.91 57.49 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 1.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.4 p 50.56 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.468 ' HB3' ' CA ' ' A' ' 155' ' ' ILE . 6.9 tttt -165.94 -50.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 173.58 137.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.511 ' N ' ' CD1' ' A' ' 138' ' ' ILE . 1.0 OUTLIER -103.88 146.47 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 1.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.426 ' CD2' HG22 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -116.63 -49.14 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.575 HG12 ' CE1' ' A' ' 91' ' ' PHE . 12.1 p -66.03 169.66 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.95 163.57 16.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 1.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.8 t -83.0 85.16 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 1.0 109.951 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.07 -5.54 7.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 1.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.76 151.23 64.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 1.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.417 ' C ' ' CG1' ' A' ' 146' ' ' VAL . 18.2 Cg_endo -75.03 167.42 27.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 1.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 145' ' ' PRO . 2.6 m -151.68 158.43 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.157 . . . . 1.0 109.224 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 150' ' ' GLU . 6.5 pt-20 -143.14 132.97 23.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.552 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 5.2 t80 -34.25 145.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 1.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 86.16 -12.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.269 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.441 ' HG3' ' CG ' ' A' ' 147' ' ' GLU . 7.9 mm-40 -95.13 142.86 25.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 1.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 159.88 40.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 1.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.22 -81.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 1.0 109.239 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 138' ' ' ILE . 94.4 t -123.51 137.7 55.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 139' ' ' LEU . 3.0 t -101.95 135.43 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.48 ' O ' ' CA ' ' A' ' 80' ' ' GLY . 5.2 mp -113.6 166.07 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.561 1.163 . . . . 1.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.454 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.0 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 1.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.483 0.182 . . . . 1.0 111.006 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER 179.14 81.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 1.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.466 ' CB ' ' HD3' ' A' ' 73' ' ' PRO . . . 168.37 -54.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 1.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.96 -62.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 1.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.88 83.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -174.55 101.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 1.0 109.262 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.64 -60.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.63 143.13 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 1.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.9 pt 44.67 -166.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 1.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 97.1 p -179.57 130.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 1.0 110.053 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.453 ' CA ' ' HG3' ' A' ' 156' ' ' GLU . . . 82.53 125.36 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 1.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.418 ' ND1' ' HD3' ' A' ' 131' ' ' LYS . 3.5 t60 -141.32 133.54 27.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.792 . . . . 1.0 109.634 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.58 120.21 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.462 ' CG2' HD22 ' A' ' 115' ' ' LEU . 88.3 t -68.97 129.03 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 1.0 109.383 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -115.57 116.63 28.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 1.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.64 102.05 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.48 8.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 1.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.39 132.82 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.5 t -63.16 143.92 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.48 -138.59 5.39 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.534 1.146 . . . . 1.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 7.1 m -124.76 121.99 36.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 1.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.609 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 7.1 t80 -87.72 133.91 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 54.9 m-85 -131.48 143.19 50.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.31 -19.53 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 74.8 p -132.94 153.42 80.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 110.428 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 -17.19 19.67 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 1.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.25 170.64 7.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 1.0 110.045 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -31.04 6.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 1.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.29 42.36 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.59 144.86 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.07 171.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 1.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.453 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -99.31 135.72 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CD1' HG23 ' A' ' 114' ' ' THR . 4.2 m-85 -48.91 -43.86 39.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.7 pt -132.13 120.29 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' VAL . 13.9 mt-10 -88.68 112.17 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 1.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.443 HG23 ' CD1' ' A' ' 138' ' ' ILE . 91.9 t -39.92 115.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 1.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.55 27.22 5.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -121.82 171.12 9.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 1.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -104.38 132.69 50.35 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.439 1.087 . . . . 1.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.0 m -130.71 132.49 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 9.5 t30 -115.01 147.44 40.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 1.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.499 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.17 109.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 134.28 -31.48 2.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 1.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.86 135.45 38.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 1.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.569 HG23 ' CD1' ' A' ' 102' ' ' PHE . 64.9 m -55.04 144.35 23.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.468 ' CD1' ' HB1' ' A' ' 129' ' ' ALA . 1.2 tp -114.35 -35.07 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.609 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 31.5 p -177.96 -163.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 108.284 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.455 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mt -140.64 156.41 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 127' ' ' ILE . 94.2 t -136.97 119.55 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -95.72 125.99 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 123' ' ' MET . . . -155.04 161.61 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mtm 53.42 19.12 1.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 1.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.07 41.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 1.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.444 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 4.8 ptt? -162.03 139.03 8.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 1.0 110.974 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.2 ptp -77.49 144.24 37.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -139.15 105.52 5.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -64.75 147.8 52.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 118' ' ' VAL . 5.3 mt -114.94 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.19 132.68 34.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 1.0 110.338 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.468 ' HB1' ' CD1' ' A' ' 115' ' ' LEU . . . -52.18 133.04 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -125.17 23.48 7.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 1.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.418 ' HD3' ' ND1' ' A' ' 81' ' ' HIS . 6.3 mttp -169.61 81.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 68.9 p -39.2 147.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 1.0 109.926 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -178.56 -172.31 42.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 1.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.443 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 1.8 p -128.18 60.21 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 0.807 . . . . 1.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 134' ' ' THR . 4.4 p 49.03 -177.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 1.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.466 ' CE ' ' HB3' ' A' ' 156' ' ' GLU . 1.5 tptp -171.1 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 167.18 135.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 1.0 109.249 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.463 ' CG2' HG12 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -103.23 118.96 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -87.14 -46.18 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 1.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.573 HG13 ' CD2' ' A' ' 91' ' ' PHE . 13.3 p -82.0 138.46 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.35 137.56 38.6 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.466 1.104 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.0 p -42.8 100.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.32 -36.19 2.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 1.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -57.01 140.74 77.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 1.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 163.58 35.08 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.527 1.804 . . . . 1.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.477 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.2 m -142.21 157.96 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -126.95 168.89 13.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 1.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.497 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 28.4 t80 -65.68 130.54 43.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.3 t70 82.24 -4.26 1.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 1.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.27 146.3 62.01 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 1.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 151.45 40.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.397 1.735 . . . . 1.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' A' ' 146' ' ' VAL . 13.3 mt -119.05 -81.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 1.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.469 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 6.0 t -133.36 150.13 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.43 ' CG1' ' HB3' ' A' ' 136' ' ' LYS . 95.4 t -104.36 127.72 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.471 ' CG2' ' HA3' ' A' ' 133' ' ' GLY . 8.2 mt -119.82 149.37 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 1.0 109.282 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.466 ' HB3' ' CE ' ' A' ' 136' ' ' LYS . 17.5 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 1.0 110.256 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.522 0.201 . . . . 1.0 110.96 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.7 pm0 42.15 -163.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 1.0 110.296 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.469 ' CB ' ' HD3' ' A' ' 73' ' ' PRO . . . 168.27 -54.75 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -74.94 -56.15 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.573 1.828 . . . . 1.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.96 -61.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 1.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.63 63.04 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 1.0 109.32 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 40.47 62.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 109.339 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 50.85 98.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 1.092 . . . . 1.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.28 134.3 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 1.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.77 138.36 42.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 1.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.25 122.47 0.57 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 1.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.558 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -117.88 94.97 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 1.0 109.639 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.589 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 11.8 mm -83.5 122.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.558 HG21 ' CE1' ' A' ' 81' ' ' HIS . 85.7 t -89.21 116.49 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 1.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -104.41 124.62 49.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 1.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 6.4 t -40.87 100.85 0.23 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 1.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.39 8.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.761 . . . . 1.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.98 111.32 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 1.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 19.2 t -48.63 142.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.8 -135.77 4.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.424 1.077 . . . . 1.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 m -126.27 121.2 31.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 1.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.584 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.4 t80 -87.35 130.11 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 1.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 45.3 m-85 -124.6 146.96 48.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 1.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -96.6 -17.41 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 70.2 p -131.6 155.44 81.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -23.71 13.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.382 1.727 . . . . 1.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.31 170.81 7.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 109.945 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.01 10.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 1.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.33 45.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.69 147.43 52.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.087 . . . . 1.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -52.97 174.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 1.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.458 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -93.65 133.09 37.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 114' ' ' THR . 8.3 m-85 -50.62 -41.85 55.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 1.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 13.5 mt -130.16 132.82 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 119.51 39.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.6 t -40.42 116.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 1.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 108.04 30.54 3.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.599 1.187 . . . . 1.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -136.63 158.5 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 1.0 110.289 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -100.95 166.41 10.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 1.0 109.318 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.55 145.16 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 1.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -130.01 146.49 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 1.0 109.226 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.56 109.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.81 -10.89 6.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.449 1.093 . . . . 1.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.84 138.21 35.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 1.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 102' ' ' PHE . 74.3 m -65.55 141.41 58.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 1.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.66 -33.04 6.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 23.2 p 178.97 -170.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 108.299 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.446 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 3.7 mt -133.71 156.79 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.448 HG22 ' CD1' ' A' ' 127' ' ' ILE . 74.1 t -136.29 117.29 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -93.64 126.65 38.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 1.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -150.68 144.07 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.0 109.37 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.3 mtt 48.71 46.78 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.061 . . . . 1.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 121' ' ' MET . 10.7 ptmt 49.77 40.79 21.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 35.8 tpp -146.1 128.15 15.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.437 ' CG ' HG23 ' A' ' 117' ' ' ILE . 34.4 ttm -74.9 138.4 42.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -137.29 96.34 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.65 158.34 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.448 ' CD1' HG22 ' A' ' 118' ' ' VAL . 5.5 mt -123.65 116.05 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -96.41 127.47 42.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.364 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.42 133.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.169 . . . . 1.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.12 15.75 16.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 1.0 109.234 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -175.0 95.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 1.0 109.32 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.3 p -39.39 150.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 169.84 -179.41 42.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 1.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.4 p -106.42 -174.31 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 1.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.3 p -83.23 139.8 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 109.225 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -120.46 -44.87 2.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 164.04 139.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.46 ' CD1' HG12 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -103.84 132.07 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 1.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.466 ' CD2' HG22 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -103.15 -40.65 6.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 1.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.571 HG12 ' CE1' ' A' ' 91' ' ' PHE . 12.0 p -78.33 157.66 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.25 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.81 151.11 29.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.546 1.154 . . . . 1.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 87.7 p -64.43 83.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 133.57 -12.86 4.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.483 1.115 . . . . 1.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 147.27 88.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 1.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.406 ' C ' ' CG1' ' A' ' 146' ' ' VAL . 18.4 Cg_endo -74.98 163.69 34.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 1.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.471 HG13 ' CD2' ' A' ' 152' ' ' LEU . 4.4 m -152.47 163.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -146.72 173.81 12.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 1.0 110.346 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 3.6 t80 -61.88 135.16 57.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.118 . . . . 1.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.94 -10.0 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -83.64 136.49 42.2 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 110.307 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 152.14 40.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 1.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 80.5 mt -119.04 -79.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 138' ' ' ILE . 2.9 t -122.54 142.59 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.589 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 24.3 t -100.79 115.48 42.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 1.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -108.5 163.9 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 1.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.505 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.8 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 1.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.531 0.205 . . . . 1.0 111.05 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.01 -31.27 6.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 1.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.8 155.82 86.76 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.83 4.05 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.509 1.794 . . . . 1.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 59.6 155.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.73 129.72 34.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 1.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.09 159.36 15.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 1.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 79' ' ' SER . 0.0 OUTLIER 69.57 149.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 1.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 78' ' ' ILE . 0.6 OUTLIER 39.16 30.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -107.18 97.01 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 1.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.11 120.91 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.421 1.075 . . . . 1.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.62 99.12 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 0.813 . . . . 1.0 109.583 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.416 HG13 ' CG1' ' A' ' 154' ' ' VAL . 2.0 mp -85.41 118.08 31.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.637 1.211 . . . . 1.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 115' ' ' LEU . 40.0 t -67.72 122.21 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -116.23 118.72 33.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.443 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -50.56 106.53 0.65 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 1.0 110.064 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 0.58 8.7 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 1.0 111.015 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.01 120.16 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 89' ' ' GLY . 18.1 t -45.93 151.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 146' ' ' VAL . . . 160.53 -128.96 2.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 1.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 56.7 m -142.96 120.96 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.414 0.714 . . . . 1.0 110.453 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.611 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 2.6 t80 -86.01 138.34 32.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 29.3 m-85 -134.6 149.31 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 1.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.47 ' CZ ' HD11 ' A' ' 138' ' ' ILE . 13.9 mmm-85 -95.67 -14.06 23.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 1.0 110.228 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 40.4 p -135.39 155.47 78.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 1.0 110.369 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -22.77 14.61 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.467 1.772 . . . . 1.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -145.31 174.85 3.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.017 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.0 -32.68 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 1.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.63 51.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.52 148.26 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 1.0 109.332 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 1.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.458 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -100.27 137.82 38.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.564 ' CE2' HD12 ' A' ' 117' ' ' ILE . 22.1 m-85 -61.66 -38.89 89.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 1.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 17.6 mt -140.47 133.21 32.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.2 133.78 54.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.12 116.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 1.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.51 48.71 1.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -149.71 155.2 39.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 1.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 7.8 tttm -107.16 167.95 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' A' ' 108' ' ' LYS . 18.0 m -147.23 144.7 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.94 142.59 47.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.28 108.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.48 -8.95 8.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 1.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 133.26 37.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 1.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.555 HG22 ' CE1' ' A' ' 102' ' ' PHE . 96.6 m -53.96 141.64 27.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 110.373 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 127' ' ' ILE . 2.5 pp -112.89 -32.65 6.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 109.386 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.611 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 16.9 p -178.76 -164.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 1.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.564 HD12 ' CE2' ' A' ' 102' ' ' PHE . 4.3 mm -135.97 161.32 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 1.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.472 ' CG2' HD12 ' A' ' 127' ' ' ILE . 4.6 t -143.54 119.31 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 1.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.71 140.36 36.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 1.0 110.235 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -164.51 143.86 7.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 1.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.2 mtm 54.73 24.22 5.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.175 . . . . 1.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.4 37.33 1.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 1.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.5 ttm -136.96 145.26 43.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.392 1.057 . . . . 1.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.403 ' N ' ' HE1' ' A' ' 124' ' ' MET . 0.4 OUTLIER -90.2 133.62 34.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 110.893 -179.866 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -134.88 98.77 4.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 1.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.421 ' CG ' HD13 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -71.06 151.34 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.472 HD12 ' CG2' ' A' ' 118' ' ' VAL . 3.0 mt -122.05 115.89 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 1.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -96.6 128.83 43.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 1.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.35 133.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.23 14.99 23.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.468 ' CE ' HD11 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -174.01 95.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 39.9 p -39.23 146.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 1.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 173.36 -172.86 45.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.405 1.066 . . . . 1.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 10.7 m -113.78 -177.01 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 0.717 . . . . 1.0 110.383 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.5 p -72.52 142.22 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 1.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -124.44 -45.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 163.14 132.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 1.0 109.337 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.47 HD11 ' CZ ' ' A' ' 93' ' ' ARG . 0.7 OUTLIER -102.29 132.06 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 1.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.27 -42.19 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.578 HG12 ' CD2' ' A' ' 91' ' ' PHE . 11.5 p -72.61 137.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 1.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.3 OUTLIER -102.04 131.17 48.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 1.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 60.5 p -44.3 95.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 1.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 133.11 -30.74 3.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 1.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -57.77 140.87 80.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 140.53 25.41 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 1.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 85' ' ' SER . 1.0 OUTLIER -101.84 162.77 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 11.4 mm-40 -143.39 167.84 21.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 1.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 9.0 t80 -61.17 138.02 58.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 1.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 56.67 17.66 3.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 1.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 7.5 tm-20 -90.37 137.02 27.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 1.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . 0.401 ' O ' ' OE1' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -74.97 156.35 43.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 1.0 111.035 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' VAL . 60.3 mt -130.35 -81.78 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 1.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.439 HG22 ' CE2' ' A' ' 91' ' ' PHE . 21.1 t -119.49 154.13 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 1.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 25.0 t -109.74 118.36 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.8 mp -110.28 163.26 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.6 pt-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 1.0 110.244 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.477 0.18 . . . . 1.0 111.004 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.09 106.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.01 160.07 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 1.0 109.352 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 172.59 16.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.541 1.811 . . . . 1.0 111.047 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.78 62.73 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 64.0 162.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.346 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.05 83.91 5.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 1.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.84 93.3 1.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.454 ' O ' ' CB ' ' A' ' 79' ' ' SER . 3.3 pt 40.58 -147.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 1.0 109.246 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 3.5 t 82.29 44.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 1.0 110.042 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -41.92 163.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.534 1.146 . . . . 1.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.454 ' O ' ' ND1' ' A' ' 81' ' ' HIS . 1.9 p80 -149.94 127.3 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 1.0 109.577 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CG1' HG21 ' A' ' 154' ' ' VAL . 3.8 mp -94.61 116.4 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 152' ' ' LEU . 6.7 t -75.9 119.31 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 1.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.78 127.15 51.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 1.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.498 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.3 OUTLIER -46.59 106.17 0.55 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 1.0 109.993 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 0.71 8.62 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 1.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -162.87 134.03 4.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 1.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.2 t -67.18 138.53 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.52 -124.37 1.3 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 1.0 110.998 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 88.0 m -127.88 164.29 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 1.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 140' ' ' VAL . 4.3 t80 -137.54 122.96 19.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 1.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 61.4 m-85 -116.08 162.8 16.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 1.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -108.71 -13.8 14.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 38.3 p -136.69 155.48 76.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 1.0 110.391 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -18.16 18.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 1.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -153.74 176.15 2.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.965 179.941 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 -36.48 2.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 1.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.78 23.65 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 1.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.52 158.59 15.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.601 1.188 . . . . 1.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -63.56 168.95 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 1.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -93.41 133.34 36.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.096 . . . . 1.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.667 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 28.2 m-85 -59.64 -37.74 79.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 1.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.406 ' O ' ' CG1' ' A' ' 103' ' ' ILE . 1.7 pp -143.59 100.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.84 120.24 24.93 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 67.5 t -40.17 116.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 1.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 114.05 5.63 21.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 1.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.58 164.7 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 1.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -113.26 169.85 8.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 1.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.41 HG23 ' CD2' ' A' ' 115' ' ' LEU . 22.2 m -143.03 144.31 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 1.2 p30 -118.63 148.62 42.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.18 108.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.371 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.97 10.86 11.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 1.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.0 133.94 53.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 1.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.475 ' HG1' ' NE2' ' A' ' 126' ' ' GLN . 23.5 m -60.37 143.62 52.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.41 ' CD2' HG23 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -112.17 -31.09 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.2 p 177.72 -172.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 1.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.667 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 24.2 mm -123.46 154.21 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.467 ' CG2' HD13 ' A' ' 127' ' ' ILE . 25.2 t -134.67 127.89 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.67 136.72 38.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -134.1 -175.94 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.08 . . . . 1.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -42.08 92.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 1.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER 39.97 51.11 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 1.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.68 116.7 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ttt -84.06 132.27 34.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.451 ' N ' HD21 ' A' ' 125' ' ' ASN . 1.1 m-80 -129.3 159.92 34.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.475 ' NE2' ' HG1' ' A' ' 114' ' ' THR . 31.3 tt0 -128.21 148.88 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 118' ' ' VAL . 2.2 mt -105.78 116.29 49.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 1.8 pm0 -101.44 121.89 42.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.46 133.03 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 1.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.5 p30 -112.92 15.49 19.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.0 OUTLIER -175.32 96.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 1.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 82.8 p -39.25 132.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 1.0 109.957 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.74 -171.81 31.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.112 . . . . 1.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.1 m -126.65 149.36 49.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 0.727 . . . . 1.0 110.45 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.0 p -41.26 160.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.47 ' HG3' ' CB ' ' A' ' 156' ' ' GLU . 0.2 OUTLIER -151.81 -46.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.555 1.159 . . . . 1.0 109.247 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 174.16 132.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.249 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -103.42 112.61 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 1.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -82.13 -41.28 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 91' ' ' PHE . 12.7 p -81.43 149.91 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -105.31 158.13 16.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 1.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.66 95.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 124.31 -33.9 3.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.549 1.156 . . . . 1.0 111.106 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.28 151.61 13.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.807 . . . . 1.0 110.299 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 167.23 27.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.366 1.719 . . . . 1.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.498 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 26.8 m -144.0 157.62 15.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 1.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.468 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.1 mt-10 -133.46 155.2 49.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 110.377 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 18.2 t80 -62.93 134.94 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.4 t70 83.51 -5.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 1.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 49.6 mm-40 -87.77 149.43 45.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 110.244 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 161.36 38.88 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 1.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 71.4 mt -132.39 -81.7 0.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 1.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.7 t -123.84 144.29 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 1.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.467 HG21 ' CG1' ' A' ' 82' ' ' ILE . 89.8 t -105.91 125.91 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.49 ' O ' ' CA ' ' A' ' 80' ' ' GLY . 1.7 mm -109.3 162.27 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.47 ' CB ' ' HG3' ' A' ' 136' ' ' LYS . 2.6 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.482 0.182 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 44.05 73.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 1.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.63 91.97 27.25 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 109.361 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -39.04 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 1.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -134.4 117.58 16.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 1.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.45 165.33 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.01 84.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.257 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -159.53 109.01 1.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 1.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.82 163.79 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 1.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 p -114.84 104.74 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 1.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 156' ' ' GLU . . . 140.06 91.28 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.158 . . . . 1.0 110.968 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.27 102.64 5.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 1.0 109.588 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.47 HG13 ' CG1' ' A' ' 154' ' ' VAL . 4.2 mp -91.53 130.18 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 1.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.6 t -81.16 119.97 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.075 . . . . 1.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -104.66 112.98 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.48 103.81 0.36 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 1.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.36 8.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 1.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.5 mtt -149.0 134.02 18.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 1.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 148' ' ' PHE . 10.8 t -74.79 144.6 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.51 -118.95 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 1.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.428 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 90.9 m -130.82 167.19 19.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 1.0 110.408 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 140' ' ' VAL . 3.0 t80 -138.82 138.14 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 64.3 m-85 -130.62 161.36 31.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 1.0 111.051 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.4 mmm-85 -108.78 -13.84 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 49.7 p -133.63 155.46 80.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.83 7.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.564 1.823 . . . . 1.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -142.33 178.0 1.67 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.017 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.97 -45.83 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.429 1.752 . . . . 1.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -99.47 47.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 1.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.05 160.72 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.503 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -71.75 165.07 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 1.0 109.377 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -84.21 133.21 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 1.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.485 ' CE1' HG22 ' A' ' 114' ' ' THR . 13.0 m-85 -53.93 -40.31 66.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -138.06 103.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 11.1 pt-20 -82.74 118.18 23.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 104' ' ' GLU . 94.0 t -40.29 116.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 1.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.43 5.99 15.88 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 1.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.94 171.13 8.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 1.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -115.63 176.8 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.0 m -150.94 146.73 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.467 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 0.6 OUTLIER -123.34 146.62 47.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 109.384 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 131' ' ' LYS . 3.2 t -40.2 108.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 1.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.22 -3.53 10.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 1.0 111.044 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.38 135.11 44.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.783 . . . . 1.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.485 HG22 ' CE1' ' A' ' 102' ' ' PHE . 58.0 m -58.27 144.89 39.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 mt -112.85 -34.17 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.4 p 174.89 -173.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 108.328 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.457 HG13 ' CE2' ' A' ' 102' ' ' PHE . 4.6 mt -124.96 158.78 32.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 1.0 109.235 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.455 ' CG2' HD12 ' A' ' 127' ' ' ILE . 36.4 t -143.35 125.2 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.428 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.3 tt0 -83.76 127.95 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.02 167.48 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 20.8 ptp 42.59 45.6 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 1.0 110.937 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.2 51.69 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 1.0 109.358 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.27 154.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 1.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -78.3 138.52 38.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 111.068 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -130.2 106.92 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.437 ' CG ' HG21 ' A' ' 114' ' ' THR . 13.7 tt0 -79.24 146.96 32.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.455 HD12 ' CG2' ' A' ' 118' ' ' VAL . 1.7 mt -109.07 116.62 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 1.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -95.7 114.62 26.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 110.315 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.39 132.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 1.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -117.76 14.24 14.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 1.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.413 ' N ' HG21 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -164.84 93.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.407 1.067 . . . . 1.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 63.5 p -39.08 138.66 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 1.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -170.05 -172.32 36.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 1.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.432 ' HB ' ' CG ' ' A' ' 156' ' ' GLU . 1.2 m -128.51 149.21 50.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 1.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.463 ' HA ' ' CD1' ' A' ' 155' ' ' ILE . 11.9 p -41.44 161.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.3 OUTLIER -151.89 -45.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 1.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 171.48 132.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -101.6 114.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -83.76 -42.67 16.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 1.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.568 HG12 ' CE2' ' A' ' 91' ' ' PHE . 14.4 p -78.31 159.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 1.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.02 162.25 16.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 1.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.0 t -75.38 92.33 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 119.05 -5.81 13.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.42 1.075 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.82 150.73 72.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 1.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 159.19 41.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.596 1.84 . . . . 1.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.4 m -138.82 157.97 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -127.79 162.02 27.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.357 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 25.5 t80 -64.56 131.6 47.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 1.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.6 t70 82.32 -4.25 1.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.595 1.184 . . . . 1.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -82.49 141.15 45.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 1.0 110.247 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 153.59 42.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 1.0 111.071 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 146' ' ' VAL . 82.9 mt -123.29 -81.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.4 1.062 . . . . 1.0 109.361 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.7 t -115.34 139.55 41.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 86.3 t -102.89 118.98 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 11.2 mm -104.3 162.5 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 1.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 tpp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.468 0.175 . . . . 1.0 110.995 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.39 139.01 50.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 1.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.47 ' N ' ' CD ' ' A' ' 73' ' ' PRO . . . -46.28 -54.31 18.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 1.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.91 58.4 4.81 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.487 1.783 . . . . 1.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 55.21 -176.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 1.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 69.75 178.96 0.25 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 1.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -162.3 110.91 1.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 1.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -178.51 179.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 1.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.4 mm 65.04 155.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 1.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' GLY . 0.4 OUTLIER 66.64 37.77 4.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 1.0 109.952 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 79' ' ' SER . . . -38.85 159.1 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 1.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.567 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 17.4 m-70 -117.0 175.24 5.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 1.0 109.587 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -138.61 115.9 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 1.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 152' ' ' LEU . 53.7 t -80.87 117.39 26.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -104.38 119.62 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 1.0 110.354 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.491 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.2 OUTLIER -38.88 99.47 0.19 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 1.0 110.021 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 1.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.2 tpp -159.83 115.21 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 1.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 148' ' ' PHE . 10.7 t -56.12 145.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.18 -118.51 0.91 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 1.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 98.0 m -130.05 166.53 19.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 1.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.2 t80 -137.65 133.64 34.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 63.4 m-85 -127.09 153.59 45.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 1.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.441 ' NH2' ' O ' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -104.27 -13.97 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 69.5 p -135.38 155.57 78.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -10.54 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 1.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.435 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -159.66 174.63 3.81 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.409 1.068 . . . . 1.0 109.97 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.03 -34.5 3.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 1.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.0 19.91 18.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.626 1.204 . . . . 1.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' A' ' 96' ' ' SER . . . -98.8 150.77 21.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.167 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -52.37 170.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 1.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -101.5 138.1 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CE1' HG22 ' A' ' 114' ' ' THR . 20.2 m-85 -61.88 -38.83 89.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -150.42 103.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -87.71 133.14 33.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 1.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' GLU . 62.6 t -40.4 117.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 1.0 109.296 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.55 25.27 6.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 1.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -124.32 165.36 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 1.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.75 174.67 5.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 1.0 109.223 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.0 m -152.4 150.95 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 1.0 109.236 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.43 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.7 m120 -137.01 146.54 45.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 1.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.4 108.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 1.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.27 -15.21 6.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 1.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.17 138.19 34.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.771 . . . . 1.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.566 HG22 ' CE1' ' A' ' 102' ' ' PHE . 94.2 m -53.82 173.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 1.0 110.437 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.459 ' HA ' ' CD1' ' A' ' 103' ' ' ILE . 5.3 tp -136.8 -46.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.6 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 14.0 p -175.38 -168.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 108.253 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.421 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.9 mt -132.97 153.38 37.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 1.0 109.271 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 127' ' ' ILE . 43.7 t -133.74 131.74 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -99.61 128.63 45.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 1.0 110.242 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.86 149.86 26.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 1.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.415 ' N ' ' SD ' ' A' ' 121' ' ' MET . 2.4 mpt? 52.48 25.49 3.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 1.0 111.051 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.58 42.31 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 1.0 109.247 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.9 147.18 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.82 131.39 35.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -132.36 101.2 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 1.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.94 157.75 27.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.462 HD12 ' CG2' ' A' ' 118' ' ' VAL . 5.1 mt -128.96 115.88 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 1.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -86.42 153.29 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.46 141.03 58.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 1.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -121.03 21.59 11.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 81' ' ' HIS . 0.1 OUTLIER 173.8 106.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.43 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 84.0 p -50.64 149.12 3.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 1.0 109.95 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 169.92 -174.76 44.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 1.0 111.037 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 12.9 m -116.75 165.62 13.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 1.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.8 p -52.92 162.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.353 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -149.01 -49.73 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.242 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 173.56 133.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 1.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.409 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.6 OUTLIER -106.56 114.28 45.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -83.19 -42.86 16.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.575 HG12 ' CD2' ' A' ' 91' ' ' PHE . 13.5 p -81.8 149.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.27 165.35 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.1 p -72.67 88.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.18 -12.52 6.75 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.465 1.103 . . . . 1.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.32 150.48 94.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 1.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.7 32.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.767 . . . . 1.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.491 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 20.7 m -142.41 157.85 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 1.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.41 ' CG ' HG12 ' A' ' 88' ' ' VAL . 1.9 mt-10 -135.5 160.07 39.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.533 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 39.1 t80 -63.75 132.02 49.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 1.0 111.08 179.891 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.93 -10.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 -179.925 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.72 144.77 56.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 1.0 110.363 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 156.02 42.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.549 1.815 . . . . 1.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 146' ' ' VAL . 36.4 mt -120.87 -80.3 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 1.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.409 ' CG2' HG22 ' A' ' 138' ' ' ILE . 13.7 t -130.34 138.68 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 71.8 t -97.49 123.34 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -106.56 164.15 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.387 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.502 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.9 tp10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.531 0.205 . . . . 1.0 110.977 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.39 -55.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 1.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.466 ' CB ' ' HD3' ' A' ' 73' ' ' PRO . . . -40.55 -54.56 4.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -75.06 56.61 4.34 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.778 . . . . 1.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.38 94.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.287 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.56 -61.15 2.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 1.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 74.51 -61.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 59.41 157.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 1.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.02 160.66 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 1.0 109.297 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.56 114.74 10.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 1.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.411 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -44.35 169.34 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.434 1.084 . . . . 1.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.466 ' CE1' ' HB ' ' A' ' 155' ' ' ILE . 1.2 p80 -119.25 171.05 8.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 0.78 . . . . 1.0 109.603 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.42 ' CG1' HG12 ' A' ' 154' ' ' VAL . 2.9 mt -137.4 117.79 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 152' ' ' LEU . 37.7 t -78.37 121.17 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -109.05 120.39 42.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.483 ' OG ' ' CG2' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -45.83 103.99 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 1.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.69 8.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.531 1.806 . . . . 1.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.9 mtp -154.91 141.94 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.4 t -78.91 139.0 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.18 -122.87 1.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 1.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.432 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 93.7 m -127.07 168.29 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 1.0 110.447 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.601 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 2.8 t80 -140.32 129.63 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 1.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 77.1 m-85 -123.06 163.77 19.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 1.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.7 -13.78 13.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 1.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 26.4 p -136.94 155.37 76.37 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.595 1.184 . . . . 1.0 110.452 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.16 10.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 1.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -145.77 178.7 1.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.0 -39.75 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 1.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -106.8 43.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.14 156.14 35.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -60.91 170.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -98.36 133.2 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.643 ' CD1' ' CG2' ' A' ' 114' ' ' THR . 31.4 m-85 -60.01 -37.41 79.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -135.86 94.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -83.33 112.58 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 1.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 79.4 t -40.53 116.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 1.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.99 17.15 11.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 1.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -120.33 166.93 12.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 1.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -111.05 161.58 15.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 1.0 109.344 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.66 146.23 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 1.0 109.335 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.458 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 3.4 p30 -127.56 146.14 50.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.39 -7.89 9.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 1.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.93 138.49 35.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 1.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.643 ' CG2' ' CD1' ' A' ' 102' ' ' PHE . 90.7 m -52.29 174.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 tp -138.67 -45.98 0.49 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 1.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.601 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -176.55 -164.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 108.348 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.565 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mt -135.05 155.03 37.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 109.363 179.882 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.402 ' N ' HG21 ' A' ' 117' ' ' ILE . 47.9 t -141.42 126.63 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.432 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.2 tt0 -85.13 126.92 34.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 1.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.95 157.49 29.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 1.8 mtp 46.76 41.14 9.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 121' ' ' MET . 10.8 ptmt 48.64 47.17 20.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 1.0 109.335 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.45 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -166.12 144.78 5.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.979 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ptm -71.42 133.95 46.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 1.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 123' ' ' MET . 11.8 m-80 -128.4 102.59 6.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -64.06 159.09 20.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.8 mm -125.98 115.85 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 109.328 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -93.95 149.87 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -67.12 165.06 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 1.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.14 18.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 10.8 tttt 179.98 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 62.6 p -39.35 146.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 110.025 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.03 -173.45 46.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 1.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.1 m -122.12 154.45 37.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 1.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.9 p -45.1 159.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.368 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -144.21 -48.77 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 1.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 174.37 132.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 1.0 109.364 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.464 ' CG2' HG12 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.45 125.51 57.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -93.16 -42.84 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 109.362 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.565 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 10.3 p -76.88 165.69 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 1.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.88 166.13 13.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 1.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.64 94.01 5.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.007 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 117.35 -6.53 16.74 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 1.0 111.001 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.86 151.28 73.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 1.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 159.73 40.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.483 ' CG2' ' OG ' ' A' ' 85' ' ' SER . 4.4 m -139.43 157.14 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.46 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 0.2 OUTLIER -129.71 155.33 46.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.369 179.935 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 10.7 t80 -62.46 135.72 57.56 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.527 1.142 . . . . 1.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.5 t0 84.48 -7.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.46 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 10.9 mm-40 -85.51 148.72 50.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 1.0 110.268 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.99 36.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 1.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' VAL . 29.7 mt -127.93 -80.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.464 HG12 ' CG2' ' A' ' 138' ' ' ILE . 5.8 t -131.33 140.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 1.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 139' ' ' LEU . 3.5 t -100.22 130.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 19.7 mt -117.15 164.25 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.508 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.3 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 1.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.8 ttt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.43 0.157 . . . . 1.0 110.975 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.83 -59.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.545 1.153 . . . . 1.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 43.74 84.39 0.19 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 118.24 5.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.466 1.771 . . . . 1.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.51 69.12 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.26 135.06 38.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.86 99.45 3.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 1.0 109.241 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -174.04 73.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 1.0 110.255 179.958 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER 45.83 -169.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.417 ' N ' HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -132.49 -62.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 109.969 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.85 118.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 1.0 111.021 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.562 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -127.71 104.04 7.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 1.0 109.561 -179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.9 mt -94.54 122.55 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 81' ' ' HIS . 55.1 t -74.91 117.17 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 1.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -107.28 113.82 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.295 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 150' ' ' GLU . 0.3 OUTLIER -40.83 101.3 0.24 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 1.0 110.036 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 0.42 8.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.585 1.834 . . . . 1.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.2 tpp -154.69 133.97 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 147' ' ' GLU . 2.8 t -69.91 140.59 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.98 -121.09 1.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 1.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.0 m -131.93 165.17 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 1.0 110.387 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' A' ' 140' ' ' VAL . 3.9 t80 -135.23 131.05 36.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 1.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 57.9 m-85 -124.35 148.97 47.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 1.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 23.8 mmm-85 -97.59 -13.75 21.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 1.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 21.4 p -136.92 155.59 76.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.12 21.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 1.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.456 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -159.68 175.48 3.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.968 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.09 -32.43 5.29 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 1.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -118.53 35.39 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.53 160.21 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 173.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 109.36 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.453 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -101.56 133.01 46.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.616 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 32.6 m-85 -60.17 -37.35 79.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.4 pp -142.36 98.92 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 1.0 109.334 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.89 114.89 20.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.1 t -42.02 116.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 1.0 109.372 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.95 11.48 16.29 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -115.64 171.17 7.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 1.0 110.314 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 159.16 18.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 109.216 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.4 m -136.77 134.08 48.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 1.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -122.97 150.28 43.19 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.457 1.098 . . . . 1.0 109.217 -179.927 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.58 109.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.12 -14.6 7.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 1.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.14 137.63 32.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.467 HG21 ' CG ' ' A' ' 126' ' ' GLN . 59.5 m -63.3 162.92 11.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 1.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.4 tp -123.46 -43.23 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.267 -179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.551 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.0 p -176.05 -168.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 1.0 108.259 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.616 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 16.1 mm -131.1 148.73 32.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.514 1.134 . . . . 1.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.409 ' N ' HG21 ' A' ' 117' ' ' ILE . 38.9 t -129.26 127.15 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 1.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.15 135.65 41.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 1.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -133.32 -175.96 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.9 mmm -39.92 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 1.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 120' ' ' ALA . 10.3 ptmm? 40.16 54.96 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.99 117.39 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.606 1.191 . . . . 1.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -91.48 134.81 34.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 1.0 111.023 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.476 ' O ' ' CG2' ' A' ' 117' ' ' ILE . 7.1 m-80 -133.98 162.84 30.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' CG ' HG21 ' A' ' 114' ' ' THR . 31.5 tt0 -128.68 154.36 46.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 1.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.2 mt -111.94 117.16 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -97.56 128.91 44.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 1.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.48 133.02 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -119.1 14.83 13.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.35 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.89 90.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 1.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 85.4 p -39.24 135.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 1.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.87 -173.16 41.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 1.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 135' ' ' VAL . 96.4 m -115.18 154.51 28.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 1.0 110.365 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.415 ' N ' HG21 ' A' ' 134' ' ' THR . 9.4 p -49.73 145.59 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.464 ' HD3' ' CA ' ' A' ' 156' ' ' GLU . 1.8 ttpp -124.68 -45.54 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 166.98 133.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.316 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 93' ' ' ARG . 1.6 mt -100.23 130.52 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.95 -46.52 5.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 1.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.567 HG13 ' CE2' ' A' ' 91' ' ' PHE . 14.9 p -69.71 167.89 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 1.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.48 160.01 24.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 1.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.3 p -73.85 89.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 110.011 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 122.49 -10.1 9.25 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 1.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.49 149.19 86.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 1.0 110.285 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.46 43.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 1.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 152' ' ' LEU . 2.9 m -138.82 163.64 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.466 ' HA ' ' CG1' ' A' ' 88' ' ' VAL . 3.4 pt-20 -138.43 163.37 32.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 1.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.49 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 24.7 t80 -62.75 134.79 56.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.063 . . . . 1.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 11.7 t0 81.73 -3.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 1.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.4 ' O ' ' OG ' ' A' ' 85' ' ' SER . 2.5 tm-20 -86.46 139.82 33.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 158.32 42.19 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.473 1.775 . . . . 1.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 35.2 mt -127.83 -79.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.46 ' CG2' HG22 ' A' ' 138' ' ' ILE . 5.8 t -124.99 140.62 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 1.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.442 ' CG1' ' HE3' ' A' ' 136' ' ' LYS . 35.2 t -101.08 130.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.6 mp -121.27 163.73 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 1.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.486 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 6.9 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.534 0.207 . . . . 1.0 110.997 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 3.9 pt-20 -70.99 -5.73 33.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.471 ' N ' ' CD ' ' A' ' 73' ' ' PRO . . . 168.28 -54.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.97 112.9 3.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.54 1.811 . . . . 1.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.72 120.09 2.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 1.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.07 100.82 2.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.373 1.046 . . . . 1.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 70.73 -62.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.411 ' OE1' ' NZ ' ' A' ' 131' ' ' LYS . 31.8 tt0 42.54 69.88 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 1.0 110.372 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.17 -39.81 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 p 174.18 84.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 1.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 179.96 86.68 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.544 1.152 . . . . 1.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.52 ' CD2' HG21 ' A' ' 155' ' ' ILE . 0.2 OUTLIER -110.97 106.73 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 1.0 109.594 179.965 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.6 mp -91.22 116.2 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 1.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.461 HG11 ' CD1' ' A' ' 152' ' ' LEU . 62.4 t -81.97 121.6 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.421 1.076 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -113.8 128.83 56.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 1.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 t -47.98 105.26 0.47 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 1.0 109.968 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.53 8.79 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.457 1.767 . . . . 1.0 111.022 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.66 125.78 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 1.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.9 t -53.7 138.22 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.78 -143.16 7.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 1.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 86.6 m -123.9 120.12 31.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 1.0 110.395 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.2 t80 -86.28 128.52 34.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 40.0 m-85 -121.05 146.01 47.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 1.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 5.9 mmm180 -95.04 -15.06 23.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 68.8 p -130.58 155.51 81.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 110.422 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -29.74 8.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.382 1.728 . . . . 1.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.491 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -140.59 177.72 1.86 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 1.0 109.973 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.04 -44.7 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 1.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -99.35 50.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.78 143.91 43.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.401 1.063 . . . . 1.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 168.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -77.63 132.97 38.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 114' ' ' THR . 5.5 m-85 -47.51 -43.14 24.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.447 ' O ' ' NH2' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -132.11 126.44 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 1.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -96.36 115.68 27.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 1.0 110.323 179.936 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.426 ' CG2' HD12 ' A' ' 138' ' ' ILE . 79.8 t -39.95 116.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 1.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 114.54 11.54 11.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 1.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.45 165.57 13.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 1.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.57 161.39 14.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -139.99 141.5 33.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 1.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -126.52 148.36 49.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.44 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 1.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.65 -15.64 5.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 1.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.84 135.71 33.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 0.798 . . . . 1.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.573 HG22 ' CE1' ' A' ' 102' ' ' PHE . 49.4 m -61.03 149.25 37.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 1.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 tp -116.7 -38.46 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 15.6 p -179.47 -171.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 118' ' ' VAL . 6.0 mt -133.06 158.3 43.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 1.0 109.396 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.47 ' CG2' HD12 ' A' ' 127' ' ' ILE . 94.2 t -138.29 120.24 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -94.31 125.3 38.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 1.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.78 142.53 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.4 mmm 53.85 29.18 9.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 1.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? 69.09 37.05 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.69 131.31 24.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.2 mtt -78.12 133.22 37.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -134.61 103.35 5.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.288 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.58 158.3 27.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 1.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 118' ' ' VAL . 3.3 mt -132.63 115.85 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 1.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -88.11 149.84 23.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 1.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.58 133.13 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.01 17.8 19.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.411 ' NZ ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 177.81 90.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 1.0 109.376 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' LYS . 87.3 p -39.41 143.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.0 109.967 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 172.6 -172.94 45.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.102 . . . . 1.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.2 m -107.66 165.45 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 1.0 110.438 179.926 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.07 147.63 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.514 1.133 . . . . 1.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -126.67 -47.22 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 1.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 167.81 135.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.471 ' CG2' HG12 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -101.9 118.2 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -88.43 -42.32 12.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 1.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 91' ' ' PHE . 13.2 p -83.54 148.49 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 1.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.47 161.64 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 1.0 110.345 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.1 p -65.15 99.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 1.0 110.052 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 119.61 -26.46 7.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 1.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -56.6 140.39 74.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 1.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 159.83 40.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 1.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.473 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.7 m -141.33 157.05 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.478 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 0.0 OUTLIER -127.72 165.58 19.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 110.256 -179.934 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.533 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 19.8 t80 -64.69 128.97 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 1.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 7.1 t70 84.68 3.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 1.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.478 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 23.4 mm-40 -89.81 150.47 43.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 165.28 31.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 1.0 111.033 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.473 ' CD2' HG13 ' A' ' 146' ' ' VAL . 80.9 mt -135.05 -81.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.471 HG12 ' CG2' ' A' ' 138' ' ' ILE . 9.3 t -133.11 149.43 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 1.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 27.6 t -103.28 127.11 57.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 81' ' ' HIS . 1.9 mp -116.16 164.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 1.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 1.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.513 0.197 . . . . 1.0 110.992 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.22 171.44 14.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 1.0 110.203 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.09 68.76 0.91 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 1.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 174.77 12.19 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.54 1.811 . . . . 1.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.28 -60.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 1.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 76' ' ' ALA . . . -174.49 91.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.35 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -40.46 -61.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 1.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -179.1 59.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.0 110.315 -179.959 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 79' ' ' SER . 1.1 tp 55.98 166.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.411 ' N ' HG21 ' A' ' 78' ' ' ILE . 55.8 p -172.41 -47.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 1.0 110.044 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.15 125.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 1.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 130' ' ' ASP . 1.9 t60 -149.64 124.21 9.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 1.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.457 ' CG1' HG12 ' A' ' 154' ' ' VAL . 2.7 mp -100.45 118.28 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 115' ' ' LEU . 86.4 t -63.97 116.53 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -108.97 103.1 12.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.56 104.6 0.33 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 1.0 109.935 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.53 8.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.369 1.721 . . . . 1.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.5 mtt -148.74 128.73 13.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 1.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 148' ' ' PHE . 21.0 t -69.92 141.3 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 1.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.95 -123.27 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 1.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.467 ' CA ' HG21 ' A' ' 146' ' ' VAL . 98.8 m -125.28 168.94 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 1.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.576 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.4 t80 -139.3 139.08 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 1.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.512 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.7 m-85 -133.37 150.74 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.576 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.5 mmm180 -97.61 -16.41 20.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 1.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 82.4 p -131.99 155.54 81.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 1.0 110.466 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.03 15.22 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.441 1.759 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.79 169.17 9.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 1.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.67 13.55 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 1.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.64 35.94 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.99 148.65 46.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -56.54 170.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 1.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -88.76 134.48 33.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 1.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CE1' HG22 ' A' ' 114' ' ' THR . 10.0 m-85 -53.87 -40.99 67.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 1.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.435 ' O ' ' NH2' ' A' ' 93' ' ' ARG . 0.4 OUTLIER -137.16 129.33 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 1.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 2.7 tt0 -106.68 119.64 39.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 1.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . 59.6 t -40.39 116.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.03 26.19 4.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 1.0 111.063 -179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.01 161.82 34.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 1.0 110.236 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -104.23 174.63 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 1.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.8 m -151.09 138.88 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 1.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' VAL . 2.0 t-20 -127.67 148.94 50.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -40.45 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 1.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.21 -6.46 6.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.581 1.176 . . . . 1.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.44 137.77 46.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 0.734 . . . . 1.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.55 HG22 ' CE1' ' A' ' 102' ' ' PHE . 88.3 m -59.17 174.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.425 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -136.61 -46.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 1.0 109.359 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -174.53 -163.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 1.0 108.29 179.946 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.461 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.3 mt -138.5 152.63 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 127' ' ' ILE . 16.3 t -135.49 133.15 52.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 1.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.0 tt0 -95.37 129.87 42.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.02 169.1 8.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.5 ptp 42.53 45.71 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm 41.53 51.84 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.25 157.61 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 1.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttp -80.57 143.02 33.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -137.42 98.45 3.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -68.67 153.55 43.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 1.0 110.31 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.462 HD12 ' CG2' ' A' ' 118' ' ' VAL . 4.0 mt -120.69 115.77 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -93.13 146.38 23.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 110.348 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.75 133.13 21.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 1.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.444 ' OD2' ' NE2' ' A' ' 81' ' ' HIS . 2.2 p30 -124.35 15.74 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -173.11 84.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.0 p -39.25 132.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.005 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -179.72 -173.1 44.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 1.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 14.3 m -108.99 170.88 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 1.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.432 ' N ' ' CG2' ' A' ' 134' ' ' THR . 8.9 p -64.79 145.56 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.454 1.097 . . . . 1.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -124.73 -46.86 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 1.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 166.9 133.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.576 ' CD1' ' CZ ' ' A' ' 93' ' ' ARG . 1.2 mt -102.06 133.09 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 1.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.63 -44.75 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 91' ' ' PHE . 12.2 p -82.62 141.42 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.8 -179.24 3.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 1.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.6 99.08 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 1.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.512 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 121.97 -29.42 5.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 1.0 111.001 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -52.47 150.16 9.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 1.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.12 11.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 1.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.527 ' CG1' ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -148.57 156.54 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 1.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 10.6 tt0 -134.99 170.43 15.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 110.327 179.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.413 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 32.6 t80 -59.67 137.29 58.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 1.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 55.28 19.27 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 1.0 109.305 179.937 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 36.7 tp10 -80.72 135.15 52.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 1.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -75.02 122.89 7.48 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 1.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.527 ' CD2' ' CG1' ' A' ' 146' ' ' VAL . 23.4 mt -99.64 -77.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.6 t -124.88 139.89 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 21.0 t -96.38 125.17 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 1.0 109.236 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.7 mp -113.03 160.76 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 1.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 1.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 14.0 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.537 0.208 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -178.16 119.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 1.0 110.331 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.72 79.84 1.34 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 1.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -40.65 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 1.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.53 100.25 7.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 1.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.62 -61.08 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.172 . . . . 1.0 109.293 179.927 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 55.8 172.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 1.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.18 128.2 34.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.426 ' CD1' ' N ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -41.54 157.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 1.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.4 t -59.65 -63.79 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.95 -179.893 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.18 161.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 1.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -131.52 126.68 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 1.0 109.599 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.458 HG13 ' CG1' ' A' ' 154' ' ' VAL . 5.0 mp -92.06 129.67 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 1.0 109.26 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.3 t -83.7 120.96 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -99.67 125.29 45.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.465 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -47.23 104.82 0.43 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 109.999 -179.927 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.35 8.98 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.553 1.818 . . . . 1.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.1 tpt -159.96 143.8 14.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 t -79.67 139.12 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.62 -122.12 1.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 1.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.5 m -127.76 169.55 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.771 . . . . 1.0 110.418 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.563 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 2.6 t80 -139.93 140.44 36.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 1.0 110.985 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 72.0 m-85 -133.82 150.3 51.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 6.1 mmm180 -94.95 -18.76 20.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 44.7 p -129.27 155.4 80.04 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -28.94 8.71 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.799 . . . . 1.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -141.86 175.05 3.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 1.0 110.065 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 -44.55 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 1.0 111.049 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.47 24.07 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.51 138.49 49.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 1.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -56.97 178.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 1.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -85.39 133.13 34.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CE1' HG22 ' A' ' 114' ' ' THR . 5.3 m-85 -49.6 -42.63 45.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 1.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 17.4 mt -129.46 121.57 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -90.26 112.84 24.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 104' ' ' GLU . 55.8 t -40.33 116.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.01 27.35 6.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 1.0 111.063 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.98 161.66 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 1.0 110.23 -179.935 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -98.35 141.46 31.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 1.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.5 m -138.82 130.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.463 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 22.0 m-80 -122.01 155.07 36.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 1.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -40.46 112.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 1.0 109.264 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.14 -23.62 4.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 1.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.11 135.09 37.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.736 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 102' ' ' PHE . 94.0 m -51.23 174.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 129' ' ' ALA . 0.2 OUTLIER -136.91 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 1.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.563 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -172.96 -164.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.475 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.3 mt -137.1 152.78 28.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -135.32 128.81 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 1.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -91.95 128.96 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 1.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -163.3 151.71 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.0 mtp 53.29 21.22 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.95 40.84 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 1.0 109.368 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.6 mmm -149.14 152.5 36.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.93 103.07 15.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -95.25 112.75 24.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 1.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -73.89 143.76 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.6 mm -111.33 115.82 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -90.02 136.47 33.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 1.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 115' ' ' LEU . . . -40.43 133.1 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 1.0 109.23 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -120.06 15.47 12.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.5 mttp -179.68 91.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 1.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.463 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 56.9 p -39.22 149.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.408 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . 179.04 -173.29 45.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 1.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.513 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 42.6 m -128.0 65.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 1.0 110.378 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.3 p 50.63 178.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 1.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -166.6 -48.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 167.93 133.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 1.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.452 HD11 ' CG1' ' A' ' 153' ' ' VAL . 2.3 mm -97.22 123.44 49.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 1.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -93.24 -44.13 8.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.556 HG12 ' CD2' ' A' ' 91' ' ' PHE . 10.3 p -86.79 144.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 1.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.92 168.04 11.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 1.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 59.5 p -76.68 90.09 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 1.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.1 -5.43 7.31 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 1.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -79.3 150.13 73.51 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 1.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.21 39.25 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.485 1.781 . . . . 1.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.466 HG13 ' CD2' ' A' ' 152' ' ' LEU . 12.4 m -140.54 157.39 24.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.6 mt-10 -133.04 154.71 50.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.611 1.194 . . . . 1.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.512 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 16.4 t80 -62.57 135.08 57.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.0 t70 83.16 -5.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.3 mm-40 -89.04 150.11 44.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 1.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.29 42.88 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.792 . . . . 1.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 146' ' ' VAL . 78.5 mt -124.57 -81.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.475 HG22 ' CZ ' ' A' ' 91' ' ' PHE . 83.4 t -123.44 152.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 1.0 109.233 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 23.5 t -113.43 120.37 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 1.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.2 mp -112.36 163.24 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.0 109.286 -179.92 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.9 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 1.0 110.327 179.916 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.538 0.209 . . . . 1.0 110.989 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.61 -59.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.466 ' CB ' ' HD3' ' A' ' 73' ' ' PRO . . . -46.93 -54.47 19.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 1.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.95 117.9 5.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 1.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.4 -61.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 1.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.49 -61.11 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.63 -61.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.28 139.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 1.0 110.192 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -166.4 -44.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.408 ' N ' HG21 ' A' ' 78' ' ' ILE . 25.5 t -77.16 98.23 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 109.989 -179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.6 98.87 1.68 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 1.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.417 ' NE2' HG21 ' A' ' 83' ' ' VAL . 2.6 t60 -151.51 121.18 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 1.0 109.613 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.464 HG13 ' CG1' ' A' ' 154' ' ' VAL . 4.4 mp -95.04 119.36 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.448 ' CG2' HD22 ' A' ' 115' ' ' LEU . 55.0 t -72.9 117.29 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 1.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -113.05 124.71 53.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 1.143 . . . . 1.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.445 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 1.0 OUTLIER -49.27 105.96 0.57 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 1.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.69 8.61 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.419 1.747 . . . . 1.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.85 123.79 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.6 t -55.62 142.09 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 1.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.423 ' N ' HG23 ' A' ' 146' ' ' VAL . . . 162.11 -114.45 0.61 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 1.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.9 m -141.13 168.61 19.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 1.0 110.378 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.3 t80 -138.1 144.1 40.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 61.8 m-85 -139.0 154.82 48.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.6 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.7 mmm-85 -101.55 -14.08 17.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 1.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 42.7 p -134.97 155.46 79.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 1.0 110.406 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -25.33 11.86 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.779 . . . . 1.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.35 178.63 1.38 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 1.0 110.059 179.925 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.91 -46.44 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.798 . . . . 1.0 111.054 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -99.46 48.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.01 152.32 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 1.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -61.56 168.33 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 1.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -91.0 138.2 31.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 1.0 109.373 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.553 ' CE1' HG22 ' A' ' 114' ' ' THR . 19.4 m-85 -60.62 -39.55 88.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 1.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -147.1 101.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 1.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -91.17 135.86 33.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 1.0 110.263 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' GLU . 56.5 t -39.9 116.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.92 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.61 28.54 5.36 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 1.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.73 160.47 34.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 0.716 . . . . 1.0 110.258 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.421 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 0.6 OUTLIER -113.18 171.81 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.918 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.422 ' CG2' HD12 ' A' ' 115' ' ' LEU . 33.9 m -154.46 147.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.46 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.5 t-20 -121.81 147.71 45.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 1.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.35 109.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 1.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.66 -23.42 6.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 1.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 136.09 35.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.553 HG22 ' CE1' ' A' ' 102' ' ' PHE . 95.4 m -54.89 141.48 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 110.331 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 129' ' ' ALA . 1.9 tp -113.5 -31.9 6.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.571 1.17 . . . . 1.0 109.284 179.907 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.5 p 179.11 -173.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 108.276 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.429 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.8 mt -129.29 145.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.412 ' N ' HG21 ' A' ' 117' ' ' ILE . 6.8 t -125.98 126.5 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 1.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.27 140.49 34.44 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.52 1.137 . . . . 1.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -136.61 -176.27 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 109.353 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.5 ptm -37.91 94.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.474 1.109 . . . . 1.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 39.87 57.49 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 1.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.23 121.65 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttt -95.47 123.75 39.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.452 ' ND2' ' N ' ' A' ' 125' ' ' ASN . 0.9 OUTLIER -124.63 157.04 36.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.354 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -116.44 158.47 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.6 mm -115.64 116.44 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.362 1.039 . . . . 1.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 7.6 pt-20 -96.74 118.67 33.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 1.0 110.288 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 115' ' ' LEU . . . -40.49 133.01 2.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 1.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -118.28 10.5 12.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 1.0 109.334 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.1 mptp? -158.52 84.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 1.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 78' ' ' ILE . 59.9 p -39.11 133.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.54 -172.57 43.05 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 1.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m -110.12 -174.42 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 1.0 110.34 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.8 p -71.04 143.0 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -124.94 -46.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.596 1.185 . . . . 1.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 163.42 132.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.6 ' CD1' ' CZ ' ' A' ' 93' ' ' ARG . 1.3 mt -102.68 134.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 1.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.85 -43.49 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 91' ' ' PHE . 7.4 p -68.13 155.23 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 1.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.1 147.12 37.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 1.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.2 t -60.29 91.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 1.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.06 -17.62 7.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 1.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.71 151.39 92.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 1.0 110.313 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.24 41.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 1.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.445 ' HB ' ' CB ' ' A' ' 85' ' ' SER . 2.3 m -124.14 158.89 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 0.3 OUTLIER -140.04 165.59 26.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 1.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 19.0 t80 -59.26 138.1 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 54.98 19.55 2.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 13.5 tm-20 -85.75 132.64 43.66 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.137 . . . . 1.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . 0.402 ' O ' ' OE1' ' A' ' 150' ' ' GLU . 18.0 Cg_endo -75.02 134.93 18.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 1.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.424 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 20.4 mt -110.19 -80.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 1.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.46 ' CG2' HG22 ' A' ' 138' ' ' ILE . 9.9 t -121.81 145.62 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 23.7 t -103.22 122.22 55.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -111.25 157.41 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.4 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.5 tt0 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 1.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.469 0.176 . . . . 1.0 110.997 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 66.99 121.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 1.0 110.235 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.57 168.53 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 1.0 109.253 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.84 4.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 1.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.79 -61.07 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.12 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 1.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 57.16 91.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -154.72 59.77 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 1.0 110.248 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 9.9 tp -162.95 158.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.5 p 50.36 70.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.97 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' H ' ' CE1' ' A' ' 81' ' ' HIS . . . 163.09 90.15 0.08 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 1.0 111.054 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.416 ' CE1' ' H ' ' A' ' 80' ' ' GLY . 0.4 OUTLIER -123.68 171.68 9.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 1.0 109.546 -179.933 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.0 mp -148.21 117.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.248 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' CG2' HD12 ' A' ' 115' ' ' LEU . 74.7 t -74.84 116.86 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -108.61 121.23 44.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.78 103.96 0.37 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 1.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 1.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.93 133.23 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 18.2 t -66.02 147.46 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.85 -120.01 0.96 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 1.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.418 ' CA ' HG23 ' A' ' 146' ' ' VAL . 31.8 m -132.46 163.05 29.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.798 . . . . 1.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.609 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.6 t80 -134.68 136.41 42.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -129.97 154.11 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 1.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.418 ' NH1' HG22 ' A' ' 138' ' ' ILE . 10.8 mmm180 -103.64 -13.27 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.482 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 45.7 p -136.2 155.76 77.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 1.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.11 21.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.43 1.753 . . . . 1.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.492 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -158.34 177.27 2.17 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 1.0 109.986 -179.889 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 -41.18 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 1.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.47 19.98 19.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.457 ' HB1' ' CB ' ' A' ' 96' ' ' SER . . . -94.17 156.94 16.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 1.0 109.366 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -58.28 169.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.357 -179.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.482 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -95.86 134.6 38.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.645 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 26.5 m-85 -58.16 -38.31 76.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 1.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pt -146.87 105.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 1.0 109.399 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.59 123.44 30.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 1.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.5 t -40.41 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 1.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.82 12.25 19.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.146 . . . . 1.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.34 159.71 19.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 1.0 110.355 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 165.03 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 1.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.8 m -143.2 139.11 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' VAL . 9.7 p-10 -115.02 147.12 40.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.4 t -40.28 109.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 1.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.47 23.72 4.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 1.0 111.052 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.0 132.95 53.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 1.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.412 HG23 ' CD1' ' A' ' 102' ' ' PHE . 34.7 m -58.54 142.76 48.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 1.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.459 HD12 ' CG2' ' A' ' 83' ' ' VAL . 2.2 pp -112.5 -31.9 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 1.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.609 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.65 -176.19 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 108.335 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.645 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 20.4 mm -125.77 153.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 127' ' ' ILE . 23.3 t -132.5 124.98 52.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 1.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.21 137.23 38.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 1.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -131.75 -175.84 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.05 91.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 1.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 120' ' ' ALA . 1.6 ttpm? 46.2 47.55 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 1.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.42 114.16 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 1.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ttt -87.72 141.7 28.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 1.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -136.9 155.83 49.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 1.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -121.76 142.64 49.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 1.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.464 ' CD1' HG22 ' A' ' 118' ' ' VAL . 5.9 mt -105.58 116.05 48.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -99.5 128.19 45.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 1.0 110.261 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.27 133.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 1.0 109.253 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -109.8 14.55 23.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 1.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.0 tttm 179.93 98.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.362 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.0 m -39.17 143.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.42 -174.53 47.04 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.538 1.149 . . . . 1.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 31.7 m -115.2 158.37 22.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 0.762 . . . . 1.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.7 p -49.56 162.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 1.0 109.241 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 4.1 tmtt? -143.93 -50.53 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 1.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 173.85 132.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.418 HG22 ' NH1' ' A' ' 93' ' ' ARG . 0.4 OUTLIER -102.16 126.16 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 1.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -96.27 -44.65 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.386 1.054 . . . . 1.0 109.29 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 91' ' ' PHE . 7.2 p -72.57 160.23 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -122.14 139.42 53.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.2 p -49.0 101.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 1.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 120.36 -35.54 3.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.46 151.18 7.9 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 1.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 169.0 23.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 1.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.492 ' CG1' ' CD2' ' A' ' 152' ' ' LEU . 0.2 OUTLIER -136.7 157.04 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 1.0 109.236 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -136.23 159.69 40.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 110.351 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 29.0 t80 -66.11 127.18 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 1.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.9 t70 81.88 1.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -83.52 145.4 47.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 1.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.56 43.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 1.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.492 ' CD2' ' CG1' ' A' ' 146' ' ' VAL . 88.6 mt -127.16 -81.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 1.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.3 t -129.51 139.47 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 74.5 t -96.06 127.87 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.7 mp -113.13 163.78 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 1.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.8 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 1.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.6 ttm . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.476 0.179 . . . . 1.0 110.981 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER 177.17 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 110.296 -179.942 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.47 ' CB ' ' HD3' ' A' ' 73' ' ' PRO . . . 165.14 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 1.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 72' ' ' ALA . 18.1 Cg_endo -75.03 -52.42 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.429 1.752 . . . . 1.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 75.04 -61.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.88 84.14 4.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 60.89 152.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 1.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -92.76 111.18 22.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 1.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 132' ' ' SER . 15.5 mm 65.61 108.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.2 m -176.25 62.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.2 118.43 1.43 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.452 1.095 . . . . 1.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -120.63 159.63 24.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 1.0 109.623 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.493 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 15.5 mm -140.83 121.98 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 1.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.75 116.34 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -112.9 124.39 52.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -49.6 106.14 0.59 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 0.49 8.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 1.0 111.069 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.04 129.75 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 1.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.15 138.15 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 1.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.04 -125.35 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.12 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.466 ' CA ' HG21 ' A' ' 146' ' ' VAL . 97.8 m -126.45 167.96 14.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 1.0 110.408 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 140' ' ' VAL . 3.1 t80 -139.6 135.59 33.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.076 . . . . 1.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -128.28 162.83 26.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 1.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.466 ' CZ ' HD11 ' A' ' 138' ' ' ILE . 21.7 mmm-85 -109.99 -13.9 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 1.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 8.5 p -127.69 155.55 76.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 1.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -139.25 178.59 1.57 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.98 153.41 41.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t70 62.06 22.3 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 1.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.2 152.45 29.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -71.97 164.28 26.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.41 1.069 . . . . 1.0 109.27 -179.914 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -75.68 132.86 40.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 1.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.514 ' CE1' HG22 ' A' ' 114' ' ' THR . 5.7 m-85 -45.5 -43.73 11.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.08 119.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 1.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -91.71 116.61 29.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 1.0 110.241 -179.985 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' GLU . 57.8 t -40.23 116.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.37 8.72 12.45 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.137 . . . . 1.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -114.74 171.15 7.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 1.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -110.13 158.81 17.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.1 m -137.4 137.93 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -119.08 147.33 44.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.24 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.36 109.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.84 -21.93 6.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 1.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.42 136.72 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.629 0.841 . . . . 1.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.514 HG22 ' CE1' ' A' ' 102' ' ' PHE . 98.4 m -62.14 150.81 37.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.464 ' CD1' ' HB1' ' A' ' 129' ' ' ALA . 0.3 OUTLIER -116.78 -38.8 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.404 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.5 p -179.93 -173.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 1.0 108.291 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.438 HG13 ' CE2' ' A' ' 102' ' ' PHE . 4.9 mt -126.61 160.42 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 1.0 109.318 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 127' ' ' ILE . 3.6 t -143.99 132.92 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 1.0 109.239 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.431 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.9 tt0 -91.76 128.48 37.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -167.98 168.2 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 1.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 15.1 ptt? 42.52 45.5 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.97 51.87 4.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.73 156.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.419 ' CG ' HG23 ' A' ' 117' ' ' ILE . 36.9 ttp -74.09 144.29 45.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 1.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -137.91 99.49 3.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -73.55 150.78 41.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 1.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -116.14 117.16 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 1.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -95.99 123.45 39.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.464 ' HB1' ' CD1' ' A' ' 115' ' ' LEU . . . -40.38 133.01 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.34 14.64 11.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 2.3 ttmm -163.2 84.64 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.473 1.108 . . . . 1.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.415 ' O ' ' CD1' ' A' ' 78' ' ' ILE . 53.4 p -39.2 141.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.12 -174.21 46.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 1.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 135' ' ' VAL . 28.5 m -114.29 147.41 39.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.803 . . . . 1.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.404 ' N ' HG21 ' A' ' 134' ' ' THR . 10.0 p -41.49 160.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -143.46 -49.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.71 132.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 1.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.466 HD11 ' CZ ' ' A' ' 93' ' ' ARG . 1.7 mt -100.21 120.05 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 1.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -89.08 -44.18 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.327 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 91' ' ' PHE . 12.9 p -81.61 159.95 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 1.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.55 176.61 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 1.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 88.8 p -78.12 97.94 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 1.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 123.82 -37.1 2.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.506 1.129 . . . . 1.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -46.5 150.29 1.22 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 1.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.08 10.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 1.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.531 ' CG1' ' CD2' ' A' ' 152' ' ' LEU . 0.5 OUTLIER -147.47 156.79 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 109.224 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -139.83 161.02 38.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 1.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.447 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 29.8 t80 -62.39 126.87 28.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.467 1.104 . . . . 1.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.2 t70 78.72 13.15 1.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -92.78 135.15 26.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 1.0 110.267 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 141.03 26.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.601 1.843 . . . . 1.0 111.006 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.531 ' CD2' ' CG1' ' A' ' 146' ' ' VAL . 49.7 mt -113.68 -75.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.465 ' CG2' HG21 ' A' ' 138' ' ' ILE . 10.6 t -126.46 146.58 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.493 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 68.8 t -106.33 126.03 62.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.507 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.2 mt -110.37 164.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.507 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 14.0 tt0 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 1.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 ptp . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.469 0.176 . . . . 1.0 111.011 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 59.5 151.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 1.0 110.257 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.463 ' N ' ' CD ' ' A' ' 73' ' ' PRO . . . -69.54 -54.58 10.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.99 103.17 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 1.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.13 92.97 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 1.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.33 74.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 1.0 109.252 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.79 -61.17 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 1.0 109.306 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 64.23 138.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 1.0 110.307 -179.955 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.499 ' C ' ' CD1' ' A' ' 78' ' ' ILE . 1.6 pp -111.2 170.7 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.419 ' N ' HD11 ' A' ' 78' ' ' ILE . 2.9 m 47.43 -174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 1.0 109.978 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.46 93.61 1.43 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 1.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.596 ' CE1' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -126.46 111.48 14.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 1.0 109.585 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.542 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 7.4 mm -93.29 123.15 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.232 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.534 HG21 ' CE1' ' A' ' 81' ' ' HIS . 57.4 t -84.23 116.36 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 1.0 109.266 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -107.45 123.04 47.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.49 105.82 0.53 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 110.021 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.64 8.63 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 1.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.406 ' CG ' HG13 ' A' ' 118' ' ' VAL . 11.9 ptp -156.25 122.03 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 1.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.401 HG21 ' N ' ' A' ' 148' ' ' PHE . 10.7 t -60.31 146.55 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.4 -119.2 0.97 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.567 1.167 . . . . 1.0 111.04 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.424 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 26.1 m -128.34 168.62 15.28 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 0.79 . . . . 1.0 110.403 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CD2' HG12 ' A' ' 140' ' ' VAL . 2.5 t80 -140.76 141.84 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 1.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 62.4 m-85 -135.13 156.71 48.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 1.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.8 mmm-85 -103.32 -13.8 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 1.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 71.2 p -132.12 155.51 81.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 1.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -26.4 11.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 1.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.483 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -148.02 177.44 1.79 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.0 109.995 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.97 -45.87 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.411 1.742 . . . . 1.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.13 33.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 1.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -118.57 151.3 38.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -66.94 166.97 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.294 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -81.31 133.24 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.526 ' CD1' HG23 ' A' ' 114' ' ' THR . 13.0 m-85 -53.93 -40.33 66.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 1.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 109' ' ' VAL . 41.7 mm -133.12 131.14 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 66.8 tt0 -107.5 116.85 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 1.0 110.22 -179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' GLU . 61.6 t -40.04 116.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.71 26.18 5.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 1.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -134.49 157.37 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 1.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -99.11 169.85 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 103' ' ' ILE . 18.0 m -151.28 147.71 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 111' ' ' VAL . 41.7 t30 -129.03 146.01 51.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -39.68 108.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 1.0 109.374 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.24 -14.76 5.37 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 1.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.78 132.7 42.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.459 0.74 . . . . 1.0 109.35 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.526 HG23 ' CD1' ' A' ' 102' ' ' PHE . 88.4 m -56.1 141.86 38.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 110.369 -179.903 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -110.22 -33.78 6.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 1.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 p 173.31 -173.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 1.0 108.354 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 118' ' ' VAL . 3.7 mt -125.55 158.08 34.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.413 ' N ' HG21 ' A' ' 117' ' ' ILE . 52.3 t -143.08 125.17 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 109.236 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.8 tt0 -83.55 125.61 31.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.604 1.19 . . . . 1.0 110.306 179.899 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.484 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -172.09 175.88 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 1.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.484 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 24.0 ptm 42.31 46.7 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.43 51.8 2.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.35 170.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 1.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.26 132.62 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -122.83 95.29 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 1.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -72.02 154.94 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 1.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.8 mm -116.62 116.22 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 1.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' ALA . 10.2 tt0 -93.37 98.37 11.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 130' ' ' ASP . . . 37.84 -142.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 1.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.596 ' OD2' ' CE1' ' A' ' 81' ' ' HIS . 1.8 t0 154.52 -23.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 1.0 109.362 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 81' ' ' HIS . 5.6 tttm -170.64 95.03 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 131' ' ' LYS . 32.8 t -38.15 138.09 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.975 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 172.07 -172.65 44.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 1.0 110.977 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 15.2 m -112.57 166.16 11.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 1.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.3 p -53.9 165.28 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.4 OUTLIER -149.75 -46.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 163.77 132.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.64 132.01 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.36 -44.03 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 91' ' ' PHE . 8.8 p -74.77 146.71 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 1.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.442 ' OE2' ' NE2' ' A' ' 144' ' ' GLN . 0.8 OUTLIER -101.56 160.1 14.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.0 110.255 -179.915 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 81.8 p -71.89 97.24 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 114.68 -5.47 22.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 1.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.442 ' NE2' ' OE2' ' A' ' 141' ' ' GLU . 0.0 OUTLIER -78.35 151.0 77.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 1.0 110.327 179.898 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 157.96 42.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 1.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.464 HG13 ' CD2' ' A' ' 152' ' ' LEU . 3.0 m -138.73 158.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -125.99 160.37 30.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 1.0 110.354 179.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 25.7 t80 -65.71 130.19 42.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 1.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.9 t70 82.91 -5.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.57 144.9 53.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 155.4 43.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.47 1.774 . . . . 1.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 146' ' ' VAL . 26.2 mt -127.88 -77.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.5 t -118.83 143.4 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 1.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.542 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 44.0 t -101.49 121.19 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.4 mt -112.82 163.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.409 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 1.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.1 mmm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.47 0.176 . . . . 1.0 110.993 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -175.28 149.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.29 91.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 115.3 4.25 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 1.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.42 159.02 15.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 1.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.32 158.04 16.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 1.0 109.342 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -174.18 72.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -177.57 111.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 1.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.461 ' H ' ' NZ ' ' A' ' 131' ' ' LYS . 6.3 mm 63.74 153.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 109.357 -179.911 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 p 63.78 44.24 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 1.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.95 116.89 2.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.414 1.072 . . . . 1.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 106.68 14.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 1.0 109.55 -179.917 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 mp -94.06 116.33 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 152' ' ' LEU . 72.7 t -81.67 116.9 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -104.71 122.67 46.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 1.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.415 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -38.67 99.26 0.19 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.01 0.26 9.12 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.535 1.808 . . . . 1.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.5 tpp -158.71 111.44 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 1.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.5 t -53.6 138.86 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.25 -120.51 1.0 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.442 1.089 . . . . 1.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.43 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 94.8 m -125.24 168.83 12.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 1.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 140' ' ' VAL . 9.0 t80 -137.87 140.12 40.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 1.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.3 m-85 -135.33 146.86 48.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 1.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -95.08 -13.87 24.75 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.534 1.146 . . . . 1.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.3 p -130.37 156.59 79.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 1.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -48.18 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 1.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.52 179.08 1.25 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 110.013 179.977 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 149.94 37.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 71.72 6.5 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 1.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 100' ' ' LYS . . . -104.29 136.43 43.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.263 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -51.86 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 1.0 109.226 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.87 132.61 43.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 114' ' ' THR . 11.0 m-85 -49.03 -40.64 31.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.448 ' CD1' HG12 ' A' ' 109' ' ' VAL . 6.4 tp -128.34 92.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 1.0 109.262 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.29 112.31 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.244 -179.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.6 t -40.33 116.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 108.19 12.12 22.52 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 1.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -116.47 166.06 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 1.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.89 162.42 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 103' ' ' ILE . 34.5 m -141.78 136.86 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.7 t-20 -117.01 149.21 40.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.31 109.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.75 -27.71 4.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.14 . . . . 1.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.18 138.78 38.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 0.768 . . . . 1.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.571 HG22 ' CE1' ' A' ' 102' ' ' PHE . 59.5 m -56.51 165.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 1.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.468 HD22 ' CB ' ' A' ' 129' ' ' ALA . 0.2 OUTLIER -127.33 -43.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.571 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -178.64 -158.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 108.362 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.521 ' CG2' ' CE ' ' A' ' 124' ' ' MET . 4.6 mt -143.54 152.53 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.4 t -136.18 127.99 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.216 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.2 tt0 -88.39 128.61 35.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 1.0 110.294 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -171.04 167.24 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 4.2 ptm 42.64 45.01 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.6 51.84 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.59 155.47 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 1.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.521 ' CE ' ' CG2' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -89.29 131.83 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 1.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -124.83 108.77 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 1.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -77.18 150.27 35.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 1.0 110.268 -179.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.4 mt -109.49 117.23 54.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 1.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -94.19 124.57 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.468 ' CB ' HD22 ' A' ' 115' ' ' LEU . . . -41.89 137.19 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 1.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.6 16.27 7.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 1.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.461 ' NZ ' ' H ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -168.75 85.54 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 12.0 m -39.22 132.94 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 1.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.99 -173.3 39.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 1.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 94.4 m -116.6 155.27 29.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 1.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.3 p -47.91 160.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 1.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.52 ' CE ' ' CG1' ' A' ' 154' ' ' VAL . 1.8 ttpp -145.07 -47.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 1.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 173.0 133.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.347 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -104.97 118.2 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -86.5 -44.36 12.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 91' ' ' PHE . 14.1 p -81.49 151.78 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 1.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -107.94 174.17 6.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 1.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.429 ' N ' ' OE1' ' A' ' 141' ' ' GLU . 11.3 t -79.13 92.52 5.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 1.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.05 -21.71 6.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 1.0 110.983 179.925 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 150.2 84.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.514 0.773 . . . . 1.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 170.16 21.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.42 1.748 . . . . 1.0 110.993 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.469 HG13 ' CD2' ' A' ' 152' ' ' LEU . 35.8 m -148.93 158.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -139.47 160.93 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.516 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 9.9 t80 -63.21 133.97 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 1.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.56 -6.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 1.0 109.266 179.973 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.12 142.61 36.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.319 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 158.18 42.67 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.515 1.797 . . . . 1.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.469 ' CD2' HG13 ' A' ' 146' ' ' VAL . 81.3 mt -125.09 -81.91 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.588 1.18 . . . . 1.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.1 t -126.74 139.0 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.52 ' CG1' ' CE ' ' A' ' 136' ' ' LYS . 48.0 t -98.58 125.32 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.8 mp -115.7 163.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 26.5 tt0 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 1.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.537 0.208 . . . . 1.0 111.022 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -78.9 73.09 5.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.093 . . . . 1.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.15 92.06 4.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.63 1.206 . . . . 1.0 109.24 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 173.58 14.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.459 1.768 . . . . 1.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.68 172.28 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 1.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.3 -62.25 1.48 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.407 1.067 . . . . 1.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.56 62.11 1.01 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 1.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 60.12 120.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.0 tp -138.88 144.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 1.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.3 p -167.82 89.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 1.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.6 87.64 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 1.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.45 ' HB3' ' CE ' ' A' ' 131' ' ' LYS . 0.5 OUTLIER -111.79 162.96 14.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 1.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.0 mp -138.88 116.04 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.407 ' CG2' HD22 ' A' ' 115' ' ' LEU . 38.8 t -77.32 117.89 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.076 . . . . 1.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -107.96 127.0 53.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 1.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.2 OUTLIER -42.53 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 1.0 109.978 -179.985 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 0.59 8.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.782 . . . . 1.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -168.38 126.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 1.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.7 t -58.18 139.06 18.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 1.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.14 -127.42 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.8 m -126.37 162.91 24.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 1.0 110.391 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.589 ' CD2' HG12 ' A' ' 140' ' ' VAL . 3.1 t80 -133.94 134.32 42.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 1.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 53.6 m-85 -127.68 151.59 48.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 1.0 111.082 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.42 ' NH2' HG13 ' A' ' 138' ' ' ILE . 28.6 mmm-85 -99.35 -13.6 19.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 1.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 30.9 p -135.98 155.6 77.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 1.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -28.99 8.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.527 1.804 . . . . 1.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.4 178.7 1.35 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.992 -179.981 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.05 -40.11 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.455 1.766 . . . . 1.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.27 36.35 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -120.42 152.53 37.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 1.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -68.28 168.36 12.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -80.71 133.09 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.652 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 15.9 m-85 -53.41 -39.96 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 tt -129.36 119.83 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 28.8 tt0 -93.38 109.19 20.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 110.359 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . 54.3 t -40.23 115.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.69 31.69 5.67 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.442 1.089 . . . . 1.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.84 165.63 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 0.72 . . . . 1.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 118.74 37.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.08 . . . . 1.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.7 m -114.98 137.05 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 1.0 109.351 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 4.7 p30 -118.52 146.79 44.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.23 109.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 1.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.44 -11.49 6.06 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.73 136.68 34.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 1.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 22.0 m -57.91 143.58 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 110.349 -179.974 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.41 ' CD1' ' HB1' ' A' ' 129' ' ' ALA . 2.1 tp -112.02 -30.85 7.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.513 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 23.8 p 177.91 -169.9 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 1.0 108.233 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.652 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 24.8 mm -129.03 154.59 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 -179.931 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.467 ' CG2' HD13 ' A' ' 127' ' ' ILE . 41.5 t -134.18 127.28 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -101.58 135.53 42.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 1.0 110.351 179.941 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -130.43 -175.86 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.18 91.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 1.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 44.35 47.98 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.58 114.09 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 110.985 179.906 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.3 ttt -83.78 143.39 30.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 1.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -138.93 155.05 48.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.76 144.66 49.03 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.489 1.118 . . . . 1.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 118' ' ' VAL . 1.4 mt -104.42 116.84 48.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 1.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -101.1 113.23 26.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 115' ' ' LEU . . . -40.42 132.87 1.99 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -114.83 13.62 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 1.0 109.275 -179.934 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.45 ' CE ' ' HB3' ' A' ' 81' ' ' HIS . 8.0 pttm -165.65 97.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 131' ' ' LYS . 2.0 m -39.06 154.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 1.0 110.008 179.919 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.8 -172.91 41.04 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 1.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.519 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 4.0 m -135.36 58.69 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 1.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 134' ' ' THR . 6.8 p 50.56 177.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.47 1.106 . . . . 1.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.422 ' HG3' ' CB ' ' A' ' 156' ' ' GLU . 4.9 tttt -166.0 -50.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.08 132.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 1.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.461 HG22 ' CG2' ' A' ' 153' ' ' VAL . 1.3 mm -98.28 135.02 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.16 -44.54 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 1.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.589 HG12 ' CD2' ' A' ' 91' ' ' PHE . 10.5 p -80.64 148.94 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.6 164.14 12.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 1.0 110.339 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.26 103.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.037 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.99 -29.52 7.68 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 1.0 110.993 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -52.32 140.7 33.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 1.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 160.48 40.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 1.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 152' ' ' LEU . 2.1 m -139.9 159.49 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.371 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.474 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.1 tt0 -131.53 161.63 32.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 21.9 t80 -64.52 130.94 45.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 1.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.2 t70 83.97 0.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 1.0 109.348 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.474 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 10.8 mm-40 -90.0 149.93 42.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 1.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 158.67 42.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.56 1.821 . . . . 1.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 98.3 mt -131.64 -81.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 1.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 138' ' ' ILE . 79.3 t -124.69 151.43 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.94 124.32 71.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 5.2 mp -116.15 167.1 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 1.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.448 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 6.7 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 110.367 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mtp . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.397 0.141 . . . . 1.0 111.069 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -98.05 -78.45 0.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 1.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.466 ' CB ' ' HD3' ' A' ' 73' ' ' PRO . . . -60.58 -54.64 52.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.95 85.42 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.445 1.76 . . . . 1.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.9 96.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 1.0 109.252 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.82 -61.1 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 1.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 74.49 -62.06 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 1.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 60.34 168.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 1.0 110.362 -179.89 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mt -64.16 -69.07 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 1.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.36 -48.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.51 142.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 1.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.566 ' CE1' HG21 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.73 110.08 9.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 1.0 109.651 179.932 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.517 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 7.7 mm -96.18 123.41 48.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 1.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 81' ' ' HIS . 47.8 t -85.93 116.4 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 1.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -118.18 123.66 46.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 1.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.459 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -51.86 107.25 0.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.7 8.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 1.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.5 tpp -163.56 125.02 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 146' ' ' VAL . 17.7 t -46.85 150.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 1.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.424 ' N ' HG23 ' A' ' 146' ' ' VAL . . . 161.06 -134.51 3.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.518 HG23 ' CZ ' ' A' ' 92' ' ' TYR . 52.5 m -138.66 126.0 21.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 1.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.605 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 6.0 t80 -89.26 135.0 33.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 1.0 111.056 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 42.2 m-85 -133.37 142.62 48.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 103' ' ' ILE . 10.3 mmm180 -91.0 -16.03 28.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.4 p -129.75 156.36 78.98 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.533 1.146 . . . . 1.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.97 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 1.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.59 179.09 1.25 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 1.0 109.995 -179.952 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.99 150.93 38.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.476 1.777 . . . . 1.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 t0 70.49 7.61 6.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 1.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 100' ' ' LYS . . . -105.27 136.74 44.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 1.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -51.87 -176.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.58 132.47 43.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 1.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 114' ' ' THR . 6.1 m-85 -47.79 -42.78 26.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 1.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 115' ' ' LEU . 4.8 pt -131.92 120.97 45.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 1.0 109.377 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -99.27 118.0 34.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.9 t -40.29 116.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.04 15.89 9.56 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.52 1.137 . . . . 1.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -121.89 159.92 25.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 1.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.45 163.37 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 m -141.83 131.29 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -117.22 150.04 39.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 1.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.6 t -40.59 111.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.38 16.96 6.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.442 1.089 . . . . 1.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.12 133.65 55.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 102' ' ' PHE . 88.8 m -63.36 141.74 58.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 1.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.523 ' CD2' ' CD1' ' A' ' 155' ' ' ILE . 1.5 tp -113.69 -31.53 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 1.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.605 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 30.8 p -178.99 -164.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 1.0 108.324 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.459 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 4.6 mt -137.94 153.22 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 1.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.54 117.33 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 1.0 109.244 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -99.02 131.31 45.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 1.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.458 ' O ' ' CG ' ' A' ' 123' ' ' MET . . . -163.98 160.61 22.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 52.89 19.36 1.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 1.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.23 42.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 1.0 109.238 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -156.86 150.78 24.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ptp -91.49 141.46 28.71 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 1.108 . . . . 1.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -139.48 99.74 3.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 1.0 109.307 -179.96 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.471 ' HG3' ' CG2' ' A' ' 114' ' ' THR . 26.6 tt0 -63.56 146.46 53.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 1.0 110.226 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.6 mm -108.74 115.89 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 1.0 109.237 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -91.25 132.07 36.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 1.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.01 133.17 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -117.63 15.89 14.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 81' ' ' HIS . 11.1 tmtt? -174.71 85.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 42.9 t -39.39 137.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.29 -173.31 45.34 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.0 m -113.8 148.88 35.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 0.731 . . . . 1.0 110.44 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.4 p -40.52 157.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -142.58 -47.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 1.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 170.98 133.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 1.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.35 121.38 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 1.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -90.93 -44.25 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.25 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.573 HG12 ' CD1' ' A' ' 91' ' ' PHE . 12.0 p -74.79 152.8 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 1.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -115.44 130.35 56.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 1.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.8 t -38.99 96.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 1.0 110.108 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.528 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.99 -40.86 1.61 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.47 1.107 . . . . 1.0 111.034 -179.897 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 141' ' ' GLU . 76.2 mt-30 -47.37 148.1 2.46 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.466 0.745 . . . . 1.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.73 12.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.497 1.788 . . . . 1.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 85' ' ' SER . 2.3 m -139.75 158.74 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 1.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -136.98 172.38 13.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 1.0 110.307 179.945 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 27.3 t80 -69.62 113.91 7.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 1.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.1 t70 82.94 9.66 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.42 148.9 74.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 1.0 110.2 -179.91 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 154.27 42.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 1.0 111.05 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.417 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 96.6 mt -134.21 -81.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 1.0 109.391 179.955 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.466 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 11.3 t -129.19 152.6 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 1.0 109.378 179.91 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.517 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 57.6 t -111.02 132.89 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.523 ' CD1' ' CD2' ' A' ' 115' ' ' LEU . 5.2 mt -124.67 164.1 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.5 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.449 0.166 . . . . 1.0 110.985 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.45 -32.4 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 1.0 110.248 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.67 166.0 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 1.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.01 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.772 . . . . 1.0 111.061 179.966 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 71.47 -62.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.291 179.951 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.35 69.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.88 -61.67 1.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.552 1.157 . . . . 1.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.94 94.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 1.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.428 ' O ' ' CB ' ' A' ' 79' ' ' SER . 8.2 mm -56.6 156.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 1.0 109.299 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 3.9 t 80.01 55.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 110.047 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.48 101.84 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.133 . . . . 1.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.78 109.34 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 1.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.67 133.24 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.6 t -91.6 141.44 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 1.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -120.95 123.74 43.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 1.0 110.29 -179.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -41.72 101.47 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 1.0 110.011 -179.961 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 0.34 9.03 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.427 1.751 . . . . 1.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.468 ' CG ' HG12 ' A' ' 118' ' ' VAL . 11.1 ptm -156.5 126.75 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 1.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.41 138.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.88 -122.94 1.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.559 1.162 . . . . 1.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.428 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 52.9 m -126.3 168.78 13.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 0.815 . . . . 1.0 110.438 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.3 t80 -136.74 141.26 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 1.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.555 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.8 m-85 -136.28 150.9 49.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 1.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.548 ' NH1' ' CG2' ' A' ' 103' ' ' ILE . 12.4 mmm180 -98.35 -13.73 20.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 1.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 23.6 p -136.3 155.69 77.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 1.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.418 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.5 Cg_endo -74.98 -51.98 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.761 . . . . 1.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.52 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -137.01 178.76 1.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 110.052 -179.986 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 151.14 39.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 1.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 65.04 12.27 7.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 1.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.94 145.87 28.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 1.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 168.68 1.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -93.81 133.12 37.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 1.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CZ ' HD12 ' A' ' 117' ' ' ILE . 29.1 m-85 -54.96 -37.94 67.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.548 ' CG2' ' NH1' ' A' ' 93' ' ' ARG . 19.9 tt -130.18 101.82 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -90.17 115.51 27.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 1.0 110.367 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.457 ' CG2' HD12 ' A' ' 138' ' ' ILE . 89.6 t -40.69 116.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 1.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.61 22.28 8.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 1.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.78 157.93 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 1.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -106.24 153.47 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.17 134.52 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 15.4 p30 -117.75 151.0 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.489 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.07 109.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.17 -31.69 3.98 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.538 1.149 . . . . 1.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 129' ' ' ALA . 0.5 OUTLIER -74.77 137.37 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 1.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.544 ' CG2' ' CD1' ' A' ' 102' ' ' PHE . 89.8 m -54.95 175.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 110.395 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.6 tp -136.76 -46.42 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 1.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.586 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -177.96 -157.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 108.28 179.93 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.566 HD12 ' CZ ' ' A' ' 102' ' ' PHE . 3.7 mt -141.34 155.49 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.468 HG12 ' CG ' ' A' ' 87' ' ' MET . 6.8 t -141.2 130.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.428 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.2 tt0 -88.5 134.63 33.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -176.2 169.45 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.602 1.189 . . . . 1.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.493 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 17.7 ptp 42.52 46.29 4.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 1.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.3 tttp 41.36 51.78 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 1.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.0 156.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -77.52 143.2 38.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 1.0 111.022 179.904 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -135.5 99.45 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.358 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -67.52 154.7 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.7 mm -117.83 115.82 49.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.367 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.98 139.48 31.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 1.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 113' ' ' ASP . . . -58.22 133.16 55.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -122.88 16.22 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 1.0 109.237 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.68 91.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.555 1.159 . . . . 1.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 79.3 p -39.19 134.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 1.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.42 -172.79 33.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.44 1.088 . . . . 1.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 27.6 m -127.78 146.97 50.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 1.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.46 ' HA ' ' CD1' ' A' ' 155' ' ' ILE . 11.7 p -42.0 161.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -151.73 -46.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 170.9 132.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 105' ' ' VAL . 0.6 OUTLIER -104.47 130.4 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.67 -46.06 5.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 1.0 109.284 -179.925 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.565 HG11 ' CE1' ' A' ' 91' ' ' PHE . 13.9 p -80.73 138.11 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 1.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -99.03 178.38 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 110.219 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.5 p -78.08 93.5 4.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 1.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.555 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.17 -31.52 3.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 1.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.93 148.76 13.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 1.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 1.0 110.974 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.434 HG13 ' CD2' ' A' ' 152' ' ' LEU . 20.8 m -151.63 157.98 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 1.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.458 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 0.0 OUTLIER -148.62 156.37 42.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 1.0 110.319 179.917 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 11.3 t80 -59.85 137.64 58.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.45 -5.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.226 179.962 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.458 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 40.1 mm-40 -90.2 146.03 34.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 1.0 110.29 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 156.7 42.82 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 1.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 26.2 mt -123.04 -81.75 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 48.4 t -124.44 137.72 56.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 1.0 109.296 -179.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 57.4 t -95.0 116.48 36.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 1.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 11.2 mm -107.43 163.69 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.371 179.924 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.493 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.8 tt0 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.191 . . . . 1.0 110.322 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.505 0.193 . . . . 1.0 111.024 . . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 70' ' ' MET . 2.4 pm0 44.04 -169.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.341 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.502 ' CB ' ' HD3' ' A' ' 73' ' ' PRO . . . -78.8 -56.25 0.91 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 1.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.93 126.68 10.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.433 1.754 . . . . 1.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.07 115.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 1.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.27 176.02 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 1.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -171.1 126.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 1.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -172.99 103.85 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.368 1.042 . . . . 1.0 110.354 -179.995 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.4 tp -141.25 -60.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 m -39.37 104.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 1.0 110.05 179.959 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.91 82.67 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 1.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.48 ' N ' ' ND1' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -106.11 98.22 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 1.0 109.567 -179.931 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.464 HG13 ' CG1' ' A' ' 154' ' ' VAL . 2.8 mp -85.86 116.05 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -87.8 122.89 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 1.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' SER . 49.5 mtt180 -98.43 132.2 44.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 1.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' ARG . 8.8 p -38.45 103.32 0.27 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 1.0 110.036 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.27 9.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 1.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 131.18 6.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.579 1.174 . . . . 1.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.6 t -71.16 139.33 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.313 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.72 -117.51 0.82 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 1.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.424 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 73.7 m -129.18 167.82 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 1.0 110.404 -179.932 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 140' ' ' VAL . 2.9 t80 -137.56 137.99 39.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -129.46 155.95 44.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 1.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -103.25 -13.59 16.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 29.0 p -126.82 155.56 75.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 1.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -33.2 4.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.557 1.82 . . . . 1.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.87 172.34 7.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 109.985 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.72 14.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.468 1.773 . . . . 1.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -121.65 63.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 1.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -153.12 146.95 25.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 1.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.97 167.94 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 1.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -69.75 132.39 46.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.567 ' CE1' HG22 ' A' ' 114' ' ' THR . 3.1 m-85 -40.4 -45.46 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 1.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 104' ' ' GLU . 1.2 mp -130.19 163.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 1.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.503 ' N ' ' CG2' ' A' ' 103' ' ' ILE . 20.6 pt-20 -123.85 115.21 20.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.604 1.19 . . . . 1.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.402 ' CG2' HD12 ' A' ' 138' ' ' ILE . 62.9 t -40.24 115.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 1.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.53 25.55 5.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.551 1.157 . . . . 1.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.53 164.02 15.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 0.753 . . . . 1.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' HG3' ' CG2' ' A' ' 134' ' ' THR . 1.9 mptp? -101.73 114.79 29.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 1.0 109.232 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.9 m -107.7 136.91 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 1.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -129.63 152.47 49.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.2 t -40.36 109.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 1.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.04 -23.83 4.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.088 . . . . 1.0 111.02 -179.941 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.91 136.98 32.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 0.803 . . . . 1.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 102' ' ' PHE . 92.2 m -59.2 174.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.5 tp -136.14 -46.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.309 -179.946 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.4 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.4 p -178.5 -173.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 108.301 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 118' ' ' VAL . 3.3 mt -125.51 161.57 29.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 1.0 109.227 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.418 ' N ' HG21 ' A' ' 117' ' ' ILE . 40.2 t -144.33 124.6 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 1.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 2.6 tt0 -82.08 126.87 32.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -173.1 170.83 4.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 1.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 22.9 ptm 42.45 46.15 4.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? 40.84 51.75 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 1.0 109.292 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -176.02 161.0 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 1.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.03 127.81 36.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -115.79 124.86 51.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -88.53 145.58 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 1.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.8 mt -114.58 115.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.25 138.86 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.88 133.14 5.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -113.14 14.65 19.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 1.0 109.253 -179.923 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.34 105.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.353 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 45.6 t -39.29 154.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 1.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -177.34 -172.58 42.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.504 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 1.8 p -134.07 55.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 1.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 134' ' ' THR . 5.8 p 50.49 179.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -163.41 -49.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 166.86 133.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.465 ' CG1' HG12 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -97.38 132.99 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 1.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.24 -43.93 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 1.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.568 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 14.9 p -68.86 156.17 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.629 1.206 . . . . 1.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -110.49 155.84 21.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 1.0 110.231 -179.945 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.9 p -70.44 93.64 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 1.0 109.986 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.408 ' O ' ' CG2' ' A' ' 90' ' ' THR . . . 122.44 -22.84 7.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 1.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.27 151.64 81.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.749 . . . . 1.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 163.57 35.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 1.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 18.8 m -143.1 157.34 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 1.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 149' ' ' ASP . 2.1 tt0 -139.92 138.85 35.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 1.0 110.291 -179.919 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.572 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 2.6 t80 -50.53 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 1.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 1.1 p30 150.65 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 1.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.442 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 9.0 mm-40 -64.39 141.42 98.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.05 41.36 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.49 1.784 . . . . 1.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.503 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 94.9 mt -105.3 -78.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.465 HG12 ' CG1' ' A' ' 138' ' ' ILE . 3.5 t -130.44 139.81 50.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 82' ' ' ILE . 6.3 t -96.94 127.14 49.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.471 ' CG2' ' HA3' ' A' ' 133' ' ' GLY . 4.5 mp -110.25 163.4 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.439 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 1.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.577 0.227 . . . . 1.0 110.997 . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -116.6 -35.94 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.65 154.54 84.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -46.36 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 1.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -134.44 88.13 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 1.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.99 -61.33 2.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 1.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -169.0 -61.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 1.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -153.36 73.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 1.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 79' ' ' SER . 2.3 pp -67.01 -171.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 109.401 179.921 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.459 ' CB ' HD13 ' A' ' 78' ' ' ILE . 1.5 m 64.74 60.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 110.033 -179.917 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.88 105.35 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.547 1.154 . . . . 1.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.481 ' CB ' ' NZ ' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -108.36 169.41 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.776 . . . . 1.0 109.626 179.977 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.474 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 18.3 mm -140.91 115.92 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 1.0 109.373 179.912 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 152' ' ' LEU . 63.5 t -79.23 116.43 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 1.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -113.72 121.86 45.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.417 ' CA ' HD13 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -52.7 107.67 0.9 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.383 1.052 . . . . 1.0 109.945 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.55 8.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 1.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.16 128.25 9.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 1.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 89' ' ' GLY . 43.6 t -60.07 151.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.419 ' N ' HG11 ' A' ' 88' ' ' VAL . . . 153.35 -113.7 0.59 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.514 1.134 . . . . 1.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 91' ' ' PHE . 24.2 m -146.81 162.6 38.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 1.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.599 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.4 t80 -126.99 138.12 53.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 1.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.566 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 47.9 m-85 -134.32 148.18 50.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 1.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.466 ' CG ' ' HB3' ' A' ' 142' ' ' SER . 11.6 mmm-85 -94.81 -17.48 22.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 1.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 45.8 p -136.44 155.51 77.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 1.0 110.33 -179.921 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.4 Cg_endo -74.97 -10.89 21.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.599 1.841 . . . . 1.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -163.84 173.96 3.72 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 1.0 109.949 -179.995 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 -35.07 3.37 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.423 1.749 . . . . 1.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.92 34.04 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -119.04 152.79 35.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 1.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -54.51 179.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 1.0 109.226 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -108.44 134.9 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.682 ' CD1' ' CG2' ' A' ' 114' ' ' THR . 41.3 m-85 -65.52 -35.83 82.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 1.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 18.8 tt -140.07 104.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 1.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -94.82 117.55 30.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 1.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.27 116.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.52 21.7 7.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.102 . . . . 1.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.07 160.24 33.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 1.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 160.33 15.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.7 m -138.99 144.58 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 5.2 m120 -117.6 145.09 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 1.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.2 t -40.05 108.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 1.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.03 -11.24 10.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 1.0 111.06 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.39 138.55 31.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 1.0 109.363 179.924 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.682 ' CG2' ' CD1' ' A' ' 102' ' ' PHE . 62.0 m -61.81 142.77 57.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 110.34 -179.917 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.47 HD22 ' CG2' ' A' ' 127' ' ' ILE . 1.7 pp -112.52 -32.88 6.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 1.0 109.226 -179.934 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 14.7 p -178.88 -157.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 1.0 108.289 -179.954 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.579 ' CD1' ' CE2' ' A' ' 102' ' ' PHE . 4.0 mm -137.9 160.41 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 1.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.4 t -143.04 116.9 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -86.35 126.16 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -165.75 162.42 18.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 1.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 48.23 34.6 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.96 47.02 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.6 mtt -164.8 153.03 12.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 126' ' ' GLN . 2.5 ttm -78.96 128.23 33.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -122.29 94.55 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.446 ' NE2' ' SD ' ' A' ' 124' ' ' MET . 1.5 mt-30 -65.34 147.54 53.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.47 ' CG2' HD22 ' A' ' 115' ' ' LEU . 5.0 mm -109.49 116.17 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.65 125.84 41.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.063 . . . . 1.0 110.278 -179.928 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.42 ' N ' HD21 ' A' ' 115' ' ' LEU . . . -51.63 133.07 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 1.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -115.65 14.47 16.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 1.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.481 ' NZ ' ' CB ' ' A' ' 81' ' ' HIS . 9.2 pttp -163.19 87.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 7.8 m -39.3 134.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 1.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.18 -173.27 40.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 1.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 t -119.23 149.3 41.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 0.726 . . . . 1.0 110.472 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.5 p -40.31 157.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.66 -47.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.26 132.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 109.264 179.95 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 1.8 mt -103.02 134.84 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 1.0 109.269 179.974 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.07 -46.12 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.571 HG12 ' CE1' ' A' ' 91' ' ' PHE . 13.0 p -67.65 149.0 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 1.0 109.372 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 142' ' ' SER . 5.6 tt0 -113.36 121.09 43.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 1.0 110.347 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.466 ' HB3' ' CG ' ' A' ' 93' ' ' ARG . 15.8 p -39.28 101.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 1.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.43 -35.68 2.75 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.472 1.107 . . . . 1.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -58.63 151.53 51.35 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.545 0.791 . . . . 1.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 162.9 36.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 1.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 90' ' ' THR . 6.2 m -128.26 156.97 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 179.929 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.78 157.59 46.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.485 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 27.4 t80 -62.92 124.35 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 1.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.1 t70 81.5 13.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -95.47 142.1 24.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 161.29 38.81 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.476 1.777 . . . . 1.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' VAL . 71.5 mt -132.61 -81.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.285 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.6 t -122.6 147.57 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.474 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 61.9 t -104.19 130.22 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 1.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.1 mp -114.56 163.85 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 1.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.9 ttm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.491 0.186 . . . . 1.0 111.026 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.36 -65.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 1.0 110.345 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 41.47 67.24 3.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.56 42.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 1.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.92 -179.52 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -140.2 58.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 1.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 69.8 -63.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.78 171.76 7.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 1.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.9 tp -127.91 -48.8 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 1.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.8 m 45.87 74.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 1.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -42.42 165.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.145 . . . . 1.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.618 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 4.5 m-70 -116.0 176.19 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 1.0 109.583 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CD1' ' CG1' ' A' ' 154' ' ' VAL . 18.6 mm -142.09 115.76 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 1.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 152' ' ' LEU . 58.3 t -86.32 116.33 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.137 . . . . 1.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -116.75 127.33 54.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 1.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.43 105.0 0.44 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 1.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.64 118.05 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 1.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.7 t -52.88 138.54 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 1.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.67 -118.97 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 1.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.8 m -134.33 164.36 27.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 1.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CE1' HG11 ' A' ' 140' ' ' VAL . 3.1 t80 -136.08 135.17 39.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.476 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 48.9 m-85 -125.41 155.23 40.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 1.0 111.015 179.927 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 5.8 mmm180 -102.88 -14.76 16.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 1.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 64.3 p -134.78 155.89 79.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 1.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.88 18.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 1.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -153.91 178.38 1.63 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.977 179.99 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.03 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.474 1.776 . . . . 1.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.23 23.7 4.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 1.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.46 160.06 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 109.336 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 165.41 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -81.62 134.88 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 1.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.698 ' CE2' ' CG1' ' A' ' 117' ' ' ILE . 14.8 m-85 -55.98 -40.13 72.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 1.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.446 ' O ' ' NH2' ' A' ' 93' ' ' ARG . 1.5 pp -135.6 115.55 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -90.75 114.58 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 1.0 110.235 -179.953 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 104' ' ' GLU . 54.8 t -40.09 116.13 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.43 15.39 12.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.383 1.052 . . . . 1.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.57 162.0 17.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 1.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.01 150.78 22.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.1 134.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 1.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.6 t-20 -117.8 146.55 43.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.492 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 109.359 -179.959 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.42 -13.13 8.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 1.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.28 137.24 32.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 0.793 . . . . 1.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.2 m -66.37 144.9 56.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 1.0 110.427 179.96 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.4 tp -111.42 -30.28 7.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.06 . . . . 1.0 109.366 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.436 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.3 p 172.49 -173.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 1.0 108.279 -179.962 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.698 ' CG1' ' CE2' ' A' ' 102' ' ' PHE . 7.0 mm -123.44 159.66 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 1.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 39.0 t -145.6 120.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -81.32 127.28 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -175.46 173.29 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 1.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.3 ptp 42.43 46.0 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 1.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.66 51.88 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 1.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.95 163.95 1.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.172 . . . . 1.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.465 ' CG ' ' O ' ' A' ' 124' ' ' MET . 2.2 ptt? -84.54 122.15 28.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 1.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -107.92 102.37 11.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -76.33 137.66 39.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 1.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.0 mm -100.5 116.99 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.302 -179.933 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -104.08 127.87 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.393 1.058 . . . . 1.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.71 133.13 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 1.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.59 18.37 18.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.618 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -178.81 95.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 1.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 3.3 m -39.4 141.62 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 1.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.9 -173.1 40.45 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.466 1.104 . . . . 1.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 60.9 p -118.1 144.47 45.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 1.0 110.364 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.0 p -40.84 159.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 1.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -141.9 -49.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 171.2 137.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 1.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -99.53 119.23 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -88.23 -43.84 11.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 1.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.565 HG11 ' CE1' ' A' ' 91' ' ' PHE . 14.4 p -80.12 166.71 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.494 ' CB ' ' NE2' ' A' ' 144' ' ' GLN . 0.2 OUTLIER -118.87 171.26 8.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 1.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -80.34 100.8 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 110.007 179.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.476 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 115.63 -32.75 5.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 1.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.494 ' NE2' ' CB ' ' A' ' 141' ' ' GLU . 0.0 OUTLIER -51.21 150.44 5.96 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.488 0.758 . . . . 1.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 165.06 32.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 1.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.471 HG13 ' CD2' ' A' ' 152' ' ' LEU . 33.7 m -142.5 158.13 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 9.0 mt-10 -133.61 165.78 24.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.411 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 35.5 t80 -63.2 134.13 55.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 1.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.9 t70 75.07 3.5 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 1.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.2 tp10 -83.81 136.47 41.76 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 151.73 39.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.491 1.785 . . . . 1.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 49.8 mt -121.68 -76.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.3 t -125.41 155.27 34.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 47.9 t -114.06 127.71 71.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.7 mp -112.34 163.82 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.465 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 1.0 110.344 -179.991 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.9 mtm . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.5 0.19 . . . . 1.0 111.012 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.79 -33.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 110.37 179.965 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.07 91.57 27.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 55.98 4.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.523 1.801 . . . . 1.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.65 93.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.952 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.83 167.43 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 63.09 173.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 65.93 109.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 110.342 -179.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.0 mm 63.9 117.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -134.1 64.84 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 1.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -57.97 -175.54 0.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 1.0 111.063 179.963 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -174.64 162.46 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 1.0 109.681 -179.956 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.602 ' O ' ' CE1' ' A' ' 81' ' ' HIS . 47.7 mm -112.85 115.92 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.441 HG23 ' CD2' ' A' ' 115' ' ' LEU . 41.2 t -75.82 116.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 1.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.3 mtt-85 -115.63 127.46 55.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 1.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -55.1 108.79 1.27 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 110.0 -179.99 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 0.92 8.36 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.549 1.815 . . . . 1.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.37 127.53 6.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 89' ' ' GLY . 23.2 t -56.32 150.75 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.425 ' N ' HG23 ' A' ' 146' ' ' VAL . . . 154.58 -121.29 1.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 1.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.424 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 33.0 m -137.25 166.62 23.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 0.72 . . . . 1.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 140' ' ' VAL . 3.5 t80 -134.93 138.35 43.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 1.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 64.7 m-85 -135.71 149.55 49.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 -97.13 -13.79 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 55.3 p -134.39 155.4 79.81 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 1.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -26.94 10.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.436 1.756 . . . . 1.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.04 178.59 1.42 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 1.0 109.938 -179.957 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.94 -47.95 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.396 1.735 . . . . 1.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -99.4 40.66 1.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 1.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -120.51 150.9 40.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 1.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -57.93 171.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 1.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.455 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -95.11 134.56 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CD1' HG23 ' A' ' 114' ' ' THR . 16.5 m-85 -56.75 -39.75 74.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.453 1.095 . . . . 1.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 115' ' ' LEU . 6.2 mt -136.59 108.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 109.24 -179.945 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' VAL . 7.4 mt-10 -89.42 115.57 26.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' GLU . 55.3 t -39.59 115.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 1.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.65 16.16 8.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.575 1.172 . . . . 1.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -121.64 171.12 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 1.0 110.279 -179.946 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -113.53 159.69 19.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 1.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.42 150.6 22.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 109.257 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.436 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 7.2 p30 -126.63 145.88 50.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 1.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 1.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.32 -22.29 7.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 1.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 133.68 36.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.788 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.569 HG23 ' CD1' ' A' ' 102' ' ' PHE . 31.4 m -56.63 142.95 37.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 1.0 110.431 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.456 ' CD1' HD13 ' A' ' 103' ' ' ILE . 1.1 tp -112.52 -31.62 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 1.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.492 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.2 p 175.36 -172.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 1.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.433 HD12 ' CE2' ' A' ' 102' ' ' PHE . 4.2 mt -121.09 158.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.419 ' N ' HG21 ' A' ' 117' ' ' ILE . 43.2 t -139.14 121.51 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 1.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 2.9 tt0 -85.07 128.13 34.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -169.01 166.22 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.504 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.6 ptp 42.72 44.03 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.81 51.83 6.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 1.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.13 153.67 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.63 138.76 41.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 1.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -132.58 96.87 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.418 ' HG3' ' CG2' ' A' ' 114' ' ' THR . 29.0 tt0 -63.85 152.38 39.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 1.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.7 mm -116.67 115.83 50.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 1.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.07 125.63 36.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 1.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.94 133.0 38.22 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.544 1.153 . . . . 1.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -120.95 24.94 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 1.0 109.357 179.95 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 5.3 tttm -169.08 83.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 53.5 p -39.3 144.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 109.962 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 170.8 -177.9 43.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 1.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 88.3 m -107.55 174.91 5.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 0.724 . . . . 1.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.5 p -70.16 140.1 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 156' ' ' GLU . 4.4 tttt -121.99 -42.84 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 1.0 109.217 -179.928 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 136' ' ' LYS . . . 164.63 136.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.463 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.03 132.55 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.458 ' CD2' HG22 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -101.78 -46.16 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.576 HG13 ' CE2' ' A' ' 91' ' ' PHE . 14.5 p -70.29 152.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 143' ' ' GLY . 32.6 tt0 -114.93 137.88 51.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 t -48.24 95.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 1.0 109.984 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.529 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.8 -32.0 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.581 1.175 . . . . 1.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.27 150.24 11.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 1.0 110.303 -179.947 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 168.46 24.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 1.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.425 HG23 ' N ' ' A' ' 89' ' ' GLY . 1.5 m -134.29 160.18 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -144.4 160.34 41.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 1.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.464 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 28.1 t80 -64.33 125.35 24.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 1.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 20.4 t0 80.06 11.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -92.6 143.69 27.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 1.0 110.36 179.972 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.94 34.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 1.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.48 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 83.5 mt -136.53 -80.6 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 1.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 138' ' ' ILE . 14.5 t -125.51 145.99 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 1.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.465 ' CG1' ' CD1' ' A' ' 82' ' ' ILE . 95.8 t -102.78 122.22 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.61 155.59 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 1.0 110.342 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.5 ptm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.517 0.198 . . . . 1.0 111.029 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.84 150.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.465 ' CB ' ' HD3' ' A' ' 73' ' ' PRO . . . -65.61 -54.53 29.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 72' ' ' ALA . 18.1 Cg_endo -75.07 58.25 4.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.777 . . . . 1.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 63.77 176.46 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 1.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.46 99.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 1.0 109.211 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.55 92.56 2.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 78' ' ' ILE . 3.7 tp10 66.24 142.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 79' ' ' SER . 1.7 pp -138.92 -53.35 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 1.0 109.328 -179.935 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 2.9 p 160.26 96.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 1.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.61 117.76 0.04 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.511 1.132 . . . . 1.0 111.05 -179.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.41 ' CG ' ' N ' ' A' ' 82' ' ' ILE . 24.7 t60 -121.97 161.91 22.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 1.0 109.604 -179.971 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.41 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 4.4 mp -136.93 123.78 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 1.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 152' ' ' LEU . 87.4 t -86.08 116.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 1.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 86' ' ' PRO . 6.8 mtt-85 -106.69 111.57 24.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 1.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.41 ' CB ' HD23 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -38.68 99.28 0.19 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.564 1.165 . . . . 1.0 110.02 179.968 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.0 Cg_endo -75.0 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.422 1.749 . . . . 1.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.78 114.73 5.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 1.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 147' ' ' GLU . 5.8 t -59.32 139.32 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 1.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.71 -120.51 0.98 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 1.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 50.5 m -126.05 167.54 15.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 0.722 . . . . 1.0 110.356 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.596 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.2 t80 -138.09 132.32 31.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 1.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.516 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.1 m-85 -125.36 151.61 45.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 1.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.461 ' CZ ' HG23 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -101.51 -14.18 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.398 1.061 . . . . 1.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 101' ' ' ALA . 44.0 p -130.11 155.48 80.68 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.26 3.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.54 1.81 . . . . 1.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -127.57 175.47 3.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 1.0 109.989 -179.976 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -32.04 5.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 1.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -118.01 55.27 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.73 143.05 43.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 171.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 1.0 109.235 -179.903 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.452 ' HA ' ' CG2' ' A' ' 94' ' ' THR . . . -89.08 133.03 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 114' ' ' THR . 7.1 m-85 -47.26 -43.09 21.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 1.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 tt -134.48 112.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 41.9 tt0 -86.22 117.68 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 1.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.415 ' CG2' HD12 ' A' ' 138' ' ' ILE . 89.4 t -40.32 116.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 1.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.72 11.36 12.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 1.0 111.053 179.998 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -118.12 169.53 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 1.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 54.5 tttt -109.48 167.54 10.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.095 . . . . 1.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.415 ' N ' ' CG ' ' A' ' 108' ' ' LYS . 12.6 m -141.82 135.8 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 1.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -116.26 142.92 46.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 p -40.36 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 1.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.31 -17.87 6.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 1.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.87 143.83 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 1.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 102' ' ' PHE . 68.9 m -64.9 152.38 43.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 1.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.426 ' CD2' HD12 ' A' ' 155' ' ' ILE . 1.8 tp -117.74 -40.27 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 1.0 109.314 -179.922 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.596 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.63 -166.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 1.0 108.284 179.952 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.444 HG23 ' CG ' ' A' ' 124' ' ' MET . 4.4 mt -137.16 156.49 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 1.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.469 ' CG2' HD12 ' A' ' 127' ' ' ILE . 17.6 t -138.1 132.64 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 1.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -95.41 132.28 40.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 1.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -171.84 167.1 6.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 1.0 109.285 179.924 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.5 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 24.6 ptm 42.82 44.15 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 1.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? 43.48 51.83 6.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 1.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.2 mtm -171.06 155.74 4.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.444 ' CG ' HG23 ' A' ' 117' ' ' ILE . 4.5 ttm -84.33 141.29 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -135.54 103.25 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -73.77 156.02 38.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 1.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 118' ' ' VAL . 2.3 mt -119.1 116.37 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.78 121.03 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.42 133.0 1.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.28 14.38 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.5 OUTLIER -161.34 82.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 1.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 131' ' ' LYS . 49.2 p -39.19 138.76 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 178.25 -173.26 45.75 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.479 1.112 . . . . 1.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 18.5 m -116.57 151.14 36.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.785 . . . . 1.0 110.447 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.7 p -41.87 162.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 109.371 179.968 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -146.22 -48.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 172.65 133.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 1.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.46 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.73 129.8 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 1.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.38 -45.64 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 1.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' A' ' 91' ' ' PHE . 7.9 p -91.02 140.57 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.12 -179.1 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 1.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.3 t -77.09 97.54 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.02 -35.44 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 1.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.402 ' CB ' HG21 ' A' ' 140' ' ' VAL . 15.6 mt-30 -47.77 150.55 1.84 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 1.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . 0.404 ' O ' ' CG1' ' A' ' 146' ' ' VAL . 18.3 Cg_endo -75.01 178.27 7.49 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.446 1.761 . . . . 1.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.427 HG13 ' CD2' ' A' ' 152' ' ' LEU . 13.7 m -155.84 158.94 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 1.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.47 ' HA ' ' CG1' ' A' ' 88' ' ' VAL . 3.0 pt-20 -145.82 162.34 37.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 9.7 t80 -62.47 135.16 57.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.12 -6.63 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 109.35 -179.938 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 0.9 OUTLIER -89.22 133.24 35.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 1.0 110.273 179.969 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.3 Cg_endo -74.97 156.75 43.13 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.41 1.742 . . . . 1.0 111.002 179.927 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 15.9 mt -117.16 -75.02 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.461 HG23 ' CZ ' ' A' ' 93' ' ' ARG . 9.1 t -127.69 141.84 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 44.4 t -99.51 123.56 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.9 mt -107.72 163.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 1.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.503 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 66.4 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 1.0 110.356 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.502 ' CE1' ' HD2' ' A' ' 131' ' ' LYS . 12.2 m-70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.4 mp -142.84 116.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 152' ' ' LEU . 30.1 t -71.29 118.09 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 1.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 0.2 OUTLIER -109.39 107.58 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 110.349 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.581 ' HB3' HD11 ' A' ' 152' ' ' LEU . 2.0 p -39.98 106.13 0.39 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 1.0 109.955 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.71 8.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 1.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.77 121.03 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 1.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.684 HG22 ' N ' ' A' ' 148' ' ' PHE . 66.3 t -54.73 147.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.67 -126.56 1.86 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 1.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 143' ' ' GLY . 85.3 m -127.04 168.37 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.718 ' HD2' HD13 ' A' ' 152' ' ' LEU . 6.6 t80 -136.93 138.9 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 1.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.571 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.5 m-85 -133.23 159.04 41.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 1.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.74 ' HD2' HG21 ' A' ' 138' ' ' ILE . 0.9 OUTLIER -114.59 -17.55 11.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 1.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.981 HG22 ' HA ' ' A' ' 101' ' ' ALA . 44.2 p -136.19 155.73 77.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 1.0 110.363 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -11.74 21.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 1.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -164.21 178.74 1.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 1.0 110.033 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.03 -46.66 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 1.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.18 35.57 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 1.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.0 161.69 17.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 167.11 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.981 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -99.92 134.39 42.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 114' ' ' THR . 12.4 m-85 -54.93 -40.37 69.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 1.0 111.065 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 1.8 tt -132.69 113.65 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.16 111.27 20.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 1.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.3 t -40.17 116.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.566 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 106.69 19.46 9.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.55 165.38 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 1.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 150.35 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 1.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 133' ' ' GLY . 20.4 m -130.7 137.63 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.418 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 1.0 OUTLIER -117.0 144.2 44.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.526 HG23 ' H ' ' A' ' 132' ' ' SER . 3.1 t -40.18 108.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.94 -11.02 8.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 1.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.85 135.61 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.68 HG21 ' CE1' ' A' ' 102' ' ' PHE . 30.0 m -62.06 143.03 57.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 1.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 103' ' ' ILE . 7.4 mt -112.86 -31.43 6.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.562 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 0.9 OUTLIER 175.91 -172.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 108.317 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.603 HD13 ' HA ' ' A' ' 126' ' ' GLN . 12.4 mm -126.09 167.46 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 90' ' ' THR . 4.2 t -151.81 128.56 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 1.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.412 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.6 tt0 -83.15 128.45 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -168.24 166.56 12.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.107 . . . . 1.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 3.5 ptt? 42.61 45.65 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 tttt 42.1 51.68 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 1.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.14 155.82 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 1.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.4 mtt -72.11 139.85 48.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 1.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -132.11 102.13 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.65 ' HG3' HG23 ' A' ' 114' ' ' THR . 8.7 tt0 -70.73 152.96 43.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.503 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.6 mt -121.83 115.98 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 129' ' ' ALA . 6.7 tt0 -97.2 131.1 44.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 115' ' ' LEU . . . -40.28 133.03 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 1.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.62 12.93 32.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.502 ' HD2' ' CE1' ' A' ' 81' ' ' HIS . 1.1 tttp 177.75 103.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.526 ' H ' HG23 ' A' ' 111' ' ' VAL . 67.9 p -39.13 143.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.548 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 178.25 -178.62 48.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 1.0 110.982 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 40.9 m -112.58 145.57 40.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 1.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.566 HG11 ' H ' ' A' ' 106' ' ' GLY . 7.9 p -41.13 160.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.68 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -141.9 -49.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.237 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.37 138.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 1.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 1.015 HG23 HG22 ' A' ' 153' ' ' VAL . 4.6 mm -100.1 111.89 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.846 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -79.68 -46.2 17.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.628 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.7 p -86.78 152.29 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 172.33 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.2 p -70.86 105.25 3.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 1.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 107.83 -20.17 31.95 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 1.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 12.6 tt0 -57.17 139.56 79.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 1.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.3 Cg_endo -74.98 150.62 38.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.793 . . . . 1.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' A' ' 91' ' ' PHE . 1.3 m -131.37 161.61 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 6.4 mt-10 -130.15 175.08 9.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.684 ' N ' HG22 ' A' ' 88' ' ' VAL . 36.7 t80 -60.49 139.54 57.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.5 OUTLIER 58.17 15.95 3.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 1.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 26.2 tp10 -85.34 135.22 39.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 1.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.846 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.0 137.95 22.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 1.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.718 HD13 ' HD2' ' A' ' 91' ' ' PHE . 26.1 mt -112.83 -77.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 1.015 HG22 HG23 ' A' ' 138' ' ' ILE . 53.8 t -116.93 149.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 1.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.714 HG23 HD21 ' A' ' 139' ' ' LEU . 79.5 t -114.12 122.49 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.469 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.9 mp -107.74 164.34 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.618 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 9.3 m-70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.859 HD13 HG22 ' A' ' 154' ' ' VAL . 3.5 mm -132.3 117.73 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 1.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.821 HG21 HD13 ' A' ' 115' ' ' LEU . 93.7 t -87.03 116.53 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 1.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -115.73 123.5 48.45 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.551 1.157 . . . . 1.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.545 ' OG ' HG21 ' A' ' 146' ' ' VAL . 0.5 OUTLIER -44.52 103.53 0.34 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 1.0 109.933 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 1.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.7 mtt -154.65 116.06 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.815 HG22 ' H ' ' A' ' 148' ' ' PHE . 15.3 t -51.95 138.65 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.47 -120.84 0.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 1.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 91' ' ' PHE . 46.2 m -129.79 169.04 15.65 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.497 0.763 . . . . 1.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.789 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.5 t80 -140.76 137.47 33.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.556 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 78.4 m-85 -128.83 162.51 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 1.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.456 ' NH2' HD12 ' A' ' 138' ' ' ILE . 5.6 mmm-85 -111.19 -14.1 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 1.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.901 HG22 ' HA ' ' A' ' 101' ' ' ALA . 77.5 p -129.43 155.48 80.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 1.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.69 9.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.793 . . . . 1.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -141.92 177.2 1.99 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.0 Cg_endo -75.04 -43.42 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 1.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -100.82 52.91 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 1.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.9 144.44 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 1.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 168.18 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 1.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.901 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -73.9 133.0 43.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.955 ' CE1' HG21 ' A' ' 114' ' ' THR . 4.4 m-85 -44.14 -44.32 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.449 HD12 ' CG1' ' A' ' 109' ' ' VAL . 36.8 mm -134.65 139.69 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 1.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -104.63 115.72 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 110.23 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.506 ' HA ' HG21 ' A' ' 135' ' ' VAL . 57.4 t -40.47 116.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 1.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.531 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.31 25.73 5.43 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.441 1.088 . . . . 1.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -120.33 171.11 8.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.792 . . . . 1.0 110.297 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -108.79 123.58 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 103' ' ' ILE . 15.9 m -115.42 136.28 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.388 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -117.81 144.51 45.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.3 109.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 1.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.84 -3.44 6.95 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.508 1.13 . . . . 1.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.16 137.19 42.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 0.805 . . . . 1.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.955 HG21 ' CE1' ' A' ' 102' ' ' PHE . 97.3 m -59.43 141.84 53.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 1.0 110.431 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.821 HD13 HG21 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -112.58 -33.35 6.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.615 1.197 . . . . 1.0 109.255 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.5 ' SG ' ' CD1' ' A' ' 115' ' ' LEU . 21.1 p 178.39 -172.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 108.33 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 118' ' ' VAL . 5.9 mt -132.7 160.89 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.483 ' CG2' HD11 ' A' ' 127' ' ' ILE . 2.9 t -146.0 133.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -93.52 140.47 29.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 1.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.05 154.02 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.3 mmm 51.09 27.83 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 1.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt 63.6 43.85 5.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 1.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.4 mmt -159.52 150.26 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 124' ' ' MET . 1.8 pmm? -78.03 142.99 37.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 1.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -139.27 104.85 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 1.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -71.37 152.86 42.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.8 HG22 HD21 ' A' ' 115' ' ' LEU . 1.4 mt -118.83 116.95 52.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 1.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -95.09 122.75 38.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 1.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.4 133.1 1.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.39 15.17 26.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 1.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.618 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER 178.19 111.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 1.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 92.8 p -40.6 160.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 1.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.452 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -178.51 -173.29 43.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.756 ' O ' HG12 ' A' ' 135' ' ' VAL . 2.7 m -138.67 56.3 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 1.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 134' ' ' THR . 6.2 p 50.84 177.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.745 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -166.28 -47.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 1.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.07 133.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 1.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.816 HG23 HG22 ' A' ' 153' ' ' VAL . 1.0 OUTLIER -97.48 126.03 50.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.471 1.107 . . . . 1.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.811 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -96.72 -44.26 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.256 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.652 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.8 p -79.37 163.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 109.389 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.443 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.8 OUTLIER -115.0 172.77 6.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 1.0 110.291 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.4 t -82.44 101.86 10.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.556 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.36 -21.69 16.77 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.473 1.108 . . . . 1.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.26 150.98 83.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.416 0.715 . . . . 1.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -75.02 166.76 28.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 1.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 91' ' ' PHE . 34.1 m -143.8 158.8 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.669 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -133.69 163.52 29.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.815 ' H ' HG22 ' A' ' 88' ' ' VAL . 35.4 t80 -62.33 135.14 57.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 1.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 7.3 t70 74.49 4.03 4.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.3 tp10 -85.92 136.44 36.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.811 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.05 151.68 39.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 1.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.785 HD13 ' HD2' ' A' ' 91' ' ' PHE . 54.9 mt -120.35 -77.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.816 HG22 HG23 ' A' ' 138' ' ' ILE . 3.8 t -128.46 152.44 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 1.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.859 HG22 HD13 ' A' ' 82' ' ' ILE . 69.9 t -111.19 127.41 68.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 1.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 156' ' ' GLU . 4.9 mp -112.69 166.96 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.527 ' N ' HG22 ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.594 ' C ' HD12 ' A' ' 82' ' ' ILE . 2.4 m80 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 81' ' ' HIS . 4.6 mp -132.06 116.05 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 1.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.804 HG12 HD12 ' A' ' 152' ' ' LEU . 37.2 t -77.9 117.9 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -105.8 119.36 38.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 1.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.871 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -45.43 103.75 0.36 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 109.993 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 0.44 8.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.778 . . . . 1.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.92 143.85 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 1.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.0 t -81.28 138.95 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 1.0 109.245 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.15 -121.16 1.03 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 1.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 85.7 m -127.66 167.43 16.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 1.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.767 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.4 t80 -138.06 135.45 35.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 1.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 72.8 m-85 -129.2 158.32 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.813 ' HD2' HG21 ' A' ' 138' ' ' ILE . 0.1 OUTLIER -113.42 -18.34 12.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 1.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 1.001 HG22 ' HA ' ' A' ' 101' ' ' ALA . 40.5 p -136.7 155.1 76.86 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 1.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.03 19.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 1.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -157.67 178.74 1.58 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.929 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.99 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 1.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.61 27.53 6.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.23 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.15 164.48 11.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 1.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 2.8 mmtp -65.0 167.39 7.88 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.001 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -107.04 136.74 46.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.845 ' CE1' HG21 ' A' ' 114' ' ' THR . 27.9 m-85 -63.92 -37.32 86.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 1.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.46 73.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 107' ' ' GLN . 16.7 pt-20 -64.61 123.42 19.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 1.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.498 HG22 HD11 ' A' ' 138' ' ' ILE . 53.1 t -40.22 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.689 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.23 13.76 24.01 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.499 1.125 . . . . 1.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -114.18 164.42 13.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 0.795 . . . . 1.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.497 ' CG ' HG23 ' A' ' 134' ' ' THR . 7.6 mttt -117.24 170.64 8.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 132' ' ' SER . 18.3 m -149.56 139.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 2.4 t30 -119.69 151.11 39.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.34 109.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.78 -14.27 9.15 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.488 1.118 . . . . 1.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 136.75 32.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.787 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.845 HG21 ' CE1' ' A' ' 102' ' ' PHE . 86.4 m -49.43 174.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 1.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.522 ' H ' HG22 ' A' ' 114' ' ' THR . 5.8 tp -137.75 -46.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.572 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.6 p -178.47 -165.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 1.0 108.306 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.496 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.8 mt -136.07 156.46 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.513 ' CG2' HD11 ' A' ' 127' ' ' ILE . 6.4 t -141.6 131.66 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -92.28 132.54 36.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 1.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.79 147.71 20.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 95.4 mtp 51.78 28.94 5.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 1.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt 64.57 42.0 5.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 1.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.5 ttm -147.56 158.53 44.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.456 1.098 . . . . 1.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.458 ' CG ' HG21 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -98.19 126.14 43.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 1.0 111.07 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -124.39 121.54 35.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.234 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -78.66 153.92 30.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 1.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.513 HD11 ' CG2' ' A' ' 118' ' ' VAL . 3.2 mt -123.34 115.9 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.23 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.84 152.75 21.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 1.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.483 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -63.13 157.06 23.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 1.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -135.84 18.62 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.435 ' HD3' ' CE1' ' A' ' 81' ' ' HIS . 0.4 OUTLIER 175.57 96.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.472 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 85.4 p -41.84 133.12 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.1 -173.04 39.87 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 1.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 135' ' ' VAL . 2.5 m -110.4 -173.98 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.774 . . . . 1.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.689 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.6 p -79.4 148.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 1.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.618 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -128.08 -48.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 168.56 133.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.813 HG21 ' HD2' ' A' ' 93' ' ' ARG . 1.0 OUTLIER -99.98 113.33 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 1.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.919 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -82.41 -44.88 15.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.622 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.7 p -78.42 140.3 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 1.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.39 150.9 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.3 p -64.05 92.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 1.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 123.05 -9.68 8.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 1.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.38 151.99 83.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 1.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.07 160.32 40.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 1.0 111.002 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.767 HG11 ' HB2' ' A' ' 91' ' ' PHE . 6.6 m -140.21 157.97 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 1.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.651 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -131.46 155.93 46.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 1.0 110.288 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.851 ' H ' HG22 ' A' ' 88' ' ' VAL . 17.6 t80 -62.98 133.99 55.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 1.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.0 t70 83.55 -3.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.354 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 3.2 mm-40 -89.6 148.24 39.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 1.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.552 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.01 155.96 42.91 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.52 1.8 . . . . 1.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.871 HD11 ' HA ' ' A' ' 85' ' ' SER . 74.9 mt -122.0 -80.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 1.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.776 HG22 HG23 ' A' ' 138' ' ' ILE . 3.8 t -127.11 150.1 32.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.919 HG23 HD21 ' A' ' 139' ' ' LEU . 35.7 t -103.21 123.82 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 1.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.5 mp -108.79 163.86 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 1.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 1.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.461 ' HB2' ' CD ' ' A' ' 131' ' ' LYS . 23.6 t60 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.911 ' CD1' HG13 ' A' ' 154' ' ' VAL . 22.6 mm -135.0 115.83 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 1.0 109.365 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.59 HG12 HD12 ' A' ' 152' ' ' LEU . 84.4 t -82.44 116.56 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -112.35 127.66 56.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.745 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -46.67 104.52 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.982 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.3 9.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.81 . . . . 1.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.1 ttm -159.69 127.2 4.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.855 HG22 ' H ' ' A' ' 148' ' ' PHE . 6.3 t -60.05 139.2 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.58 -123.15 1.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 1.0 111.042 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 91' ' ' PHE . 86.4 m -129.77 167.82 17.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 1.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.783 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.8 t80 -137.53 135.64 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 66.9 m-85 -129.37 152.86 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 1.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.435 ' NH2' HD12 ' A' ' 138' ' ' ILE . 9.1 mmm-85 -101.16 -13.94 17.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 1.0 110.248 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.936 HG22 ' HA ' ' A' ' 101' ' ' ALA . 53.7 p -130.41 155.54 80.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 1.0 110.418 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -26.55 10.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.567 1.825 . . . . 1.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.11 175.88 2.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 109.992 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.94 -37.35 2.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.567 1.825 . . . . 1.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -108.25 54.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.27 149.67 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 168.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.936 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -84.01 132.99 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.935 ' CE1' HG21 ' A' ' 114' ' ' THR . 8.9 m-85 -50.45 -41.77 53.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -140.68 109.75 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 1.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.7 129.28 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.467 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.9 t -40.26 116.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.117 . . . . 1.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.715 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.22 7.27 21.31 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.438 1.086 . . . . 1.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -111.39 159.38 18.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 1.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -105.93 168.93 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 1.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.2 m -145.18 139.06 22.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 109.33 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -123.2 146.99 47.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 1.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.38 109.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.453 1.095 . . . . 1.0 109.255 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.24 3.63 12.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.51 137.54 46.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.77 . . . . 1.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.935 HG21 ' CE1' ' A' ' 102' ' ' PHE . 96.3 m -63.16 141.39 58.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 110.448 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.842 HD21 HG22 ' A' ' 127' ' ' ILE . 3.5 pp -112.71 -32.85 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 109.36 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 12.3 p -178.71 -164.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.508 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.7 mt -139.69 150.64 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 109.228 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' THR . 45.0 t -130.85 132.76 63.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 1.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.93 129.66 46.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -158.01 157.54 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 1.0 109.23 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 mtm 51.72 20.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.4 44.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.37 150.25 23.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.0 mtm -79.06 137.2 37.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 1.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.22 95.38 3.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 1.0 109.241 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -62.07 151.92 34.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 1.0 110.355 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.842 HG22 HD21 ' A' ' 115' ' ' LEU . 2.9 mm -114.2 115.8 50.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.77 125.2 35.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.442 ' HA ' HD23 ' A' ' 115' ' ' LEU . . . -41.91 133.07 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.601 1.188 . . . . 1.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.19 14.45 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.461 ' CD ' ' HB2' ' A' ' 81' ' ' HIS . 18.6 tttt -166.61 84.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 1.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' LYS . 53.9 p -39.2 142.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 1.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.16 -173.32 46.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.111 . . . . 1.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.2 m -117.0 151.74 36.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 0.785 . . . . 1.0 110.429 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.715 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.2 p -41.75 161.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.501 1.126 . . . . 1.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.5 tmtm? -148.71 -47.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.329 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 168.46 132.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.82 HG23 HG22 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -102.11 136.57 33.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.622 HD21 HG23 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -105.55 -48.03 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.313 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.547 HG13 ' CE1' ' A' ' 91' ' ' PHE . 9.0 p -69.11 167.77 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 1.0 109.352 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.1 mp0 -119.57 168.95 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 1.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 t -82.91 87.15 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.07 -5.68 7.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 1.0 110.986 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.37 149.9 69.69 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 1.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -75.04 158.98 41.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 1.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.6 m -138.64 160.19 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.601 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.2 tt0 -132.44 157.14 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 1.0 110.347 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.855 ' H ' HG22 ' A' ' 88' ' ' VAL . 14.6 t80 -63.16 134.56 56.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 83.82 -6.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.466 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 48.5 mm-40 -86.02 148.55 48.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 1.0 110.264 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.61 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.97 168.13 25.53 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.453 1.765 . . . . 1.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.745 HD11 ' HA ' ' A' ' 85' ' ' SER . 61.0 mt -138.32 -80.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 1.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.82 HG22 HG23 ' A' ' 138' ' ' ILE . 11.2 t -124.63 142.2 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 1.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.911 HG13 ' CD1' ' A' ' 82' ' ' ILE . 45.9 t -100.13 128.93 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 1.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.5 mp -119.32 163.88 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 1.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.478 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 11.6 pt-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 1.0 110.339 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.514 ' CG ' ' HB2' ' A' ' 131' ' ' LYS . 3.8 t60 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.609 -0.515 . . . . 1.0 109.609 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.682 HG12 HG13 ' A' ' 154' ' ' VAL . 8.8 mt -99.43 123.18 51.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.159 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.006 HG21 HD13 ' A' ' 115' ' ' LEU . 72.2 t -81.24 122.51 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 1.0 109.287 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -110.58 119.65 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 1.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.84 ' HB2' HD21 ' A' ' 152' ' ' LEU . 32.3 t -39.36 105.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 110.071 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.47 8.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 1.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.76 ' CG ' HG11 ' A' ' 118' ' ' VAL . 16.1 ptp -161.29 135.74 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.87 HG22 ' H ' ' A' ' 148' ' ' PHE . 2.9 t -70.73 140.22 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 1.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.61 -118.78 0.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 1.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 27.3 m -128.39 169.9 13.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.78 . . . . 1.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.784 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.5 t80 -140.84 141.57 34.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.4 m-85 -135.67 154.18 51.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.485 ' HD3' HG21 ' A' ' 138' ' ' ILE . 16.3 mmm-85 -101.06 -15.85 17.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 1.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.969 HG22 ' HA ' ' A' ' 101' ' ' ALA . 77.0 p -131.38 155.57 81.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -29.34 8.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.779 . . . . 1.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.494 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -141.03 177.79 1.81 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 1.0 109.98 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -43.14 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 1.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.84 52.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 1.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.51 145.29 40.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 1.0 109.377 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -58.05 169.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.969 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -84.2 133.02 34.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.911 ' CE1' HG21 ' A' ' 114' ' ' THR . 9.9 m-85 -49.99 -41.96 48.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 1.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.407 HD12 HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -134.92 97.59 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 1.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.593 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 3.4 mp0 -76.25 122.71 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 1.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.498 HG22 HD11 ' A' ' 138' ' ' ILE . 55.1 t -40.14 115.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.583 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 99.68 28.05 7.67 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 1.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 134' ' ' THR . 6.4 tt0 -114.4 171.83 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 1.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 136.6 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.407 HG11 HD12 ' A' ' 103' ' ' ILE . 15.5 m -135.26 135.88 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.437 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.5 p-10 -118.44 143.89 46.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.04 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 1.0 109.36 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.95 -0.99 7.84 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 1.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.74 137.53 44.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 0.757 . . . . 1.0 109.214 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.911 HG21 ' CE1' ' A' ' 102' ' ' PHE . 85.0 m -54.07 141.12 29.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.0 110.37 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.006 HD13 HG21 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -114.01 -31.79 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.422 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 26.3 p -177.78 -168.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 108.261 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.787 HG23 ' O ' ' A' ' 125' ' ' ASN . 4.9 mt -136.79 146.11 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 1.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.76 HG11 ' CG ' ' A' ' 87' ' ' MET . 16.2 t -124.48 130.15 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 1.0 109.346 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -102.2 139.95 37.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 110.222 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -135.89 -176.13 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 120' ' ' ALA . 2.4 ptp -37.37 94.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 111.057 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 120' ' ' ALA . 13.3 pttt 39.94 57.98 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -159.41 133.94 7.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 1.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.68 123.92 48.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.787 ' O ' HG23 ' A' ' 117' ' ' ILE . 8.2 m-80 -127.12 153.92 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -114.19 160.64 18.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 110.289 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.782 ' CG2' HD21 ' A' ' 115' ' ' LEU . 2.3 mm -118.58 117.89 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -95.11 116.11 28.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.14 133.15 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 1.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -113.82 3.88 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 1.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.514 ' HB2' ' CG ' ' A' ' 81' ' ' HIS . 2.7 mptt -155.31 89.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 1.0 109.322 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 77.2 p -39.12 155.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.23 -173.0 45.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.094 . . . . 1.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.742 ' O ' HG12 ' A' ' 135' ' ' VAL . 2.1 m -130.13 69.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.597 0.822 . . . . 1.0 110.383 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 134' ' ' THR . 6.6 p 50.57 177.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 1.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.69 ' H ' HG22 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -167.81 -43.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.272 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 165.07 133.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.815 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.58 133.87 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 1.0 109.278 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.07 -44.71 4.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.7 p -74.89 158.86 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.05 161.69 15.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.8 p -72.82 95.02 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 116.83 -5.39 18.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.155 . . . . 1.0 111.024 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.464 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -78.61 150.95 76.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 1.0 110.23 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.0 Cg_endo -75.0 157.42 42.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.528 1.804 . . . . 1.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.8 m -139.36 157.23 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 1.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.795 ' HA ' HG13 ' A' ' 88' ' ' VAL . 23.3 tt0 -127.99 149.66 50.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.87 ' H ' HG22 ' A' ' 88' ' ' VAL . 6.9 t80 -60.68 138.18 58.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 1.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 10.6 t70 85.01 -8.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 1.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 14.9 mm-40 -92.15 145.74 31.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.3 Cg_endo -75.03 163.91 34.34 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.809 . . . . 1.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.84 HD21 ' HB2' ' A' ' 85' ' ' SER . 18.3 mt -128.47 -75.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.815 HG22 HG23 ' A' ' 138' ' ' ILE . 6.1 t -128.76 142.68 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.682 HG13 HG12 ' A' ' 82' ' ' ILE . 2.7 t -99.77 124.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.474 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.7 mp -113.12 157.05 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 1.0 110.387 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 1.023 ' CE1' HD13 ' A' ' 155' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.977 ' CD1' HG13 ' A' ' 154' ' ' VAL . 15.4 mm -126.14 124.08 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.709 HG23 ' CE1' ' A' ' 81' ' ' HIS . 9.2 t -94.89 118.61 41.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 76.6 mtm-85 -109.21 130.08 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 1.0 110.354 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.769 ' CA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -50.62 106.55 0.66 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 1.0 110.047 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.79 . . . . 1.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.9 mmm -155.48 128.85 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.404 1.065 . . . . 1.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.823 HG22 ' H ' ' A' ' 148' ' ' PHE . 11.8 t -64.84 139.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.44 -124.5 1.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 1.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 62.9 m -125.84 170.01 12.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 1.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.783 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.4 t80 -141.47 143.19 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.8 m-85 -136.17 155.41 50.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.51 ' HD3' HG21 ' A' ' 138' ' ' ILE . 19.4 mmm180 -101.19 -15.9 17.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.97 HG22 ' HA ' ' A' ' 101' ' ' ALA . 65.3 p -133.48 155.55 80.55 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.11 12.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 1.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -148.68 177.9 1.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.08 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -45.45 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 1.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -98.55 48.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.32 155.2 48.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 166.53 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 1.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.97 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -87.21 135.08 33.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 1.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.819 ' CE1' HG21 ' A' ' 114' ' ' THR . 14.8 m-85 -56.17 -40.06 73.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.885 HD12 HG11 ' A' ' 109' ' ' VAL . 5.2 mm -129.73 84.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.13 114.23 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.9 t -39.96 117.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 1.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.635 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 102.92 15.69 23.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.381 1.05 . . . . 1.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -113.39 169.95 8.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 0.754 . . . . 1.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 133' ' ' GLY . 0.0 OUTLIER -119.13 154.47 33.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 1.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.885 HG11 HD12 ' A' ' 103' ' ' ILE . 34.5 m -135.23 146.7 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.229 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 52.6 t-20 -125.2 148.04 48.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 1.0 109.381 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.7 p -40.35 109.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.21 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.63 -13.08 7.34 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.541 1.151 . . . . 1.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.71 135.95 35.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.819 HG21 ' CE1' ' A' ' 102' ' ' PHE . 87.0 m -48.04 174.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.0 110.393 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.697 HD13 ' HB2' ' A' ' 129' ' ' ALA . 5.4 tp -138.08 -46.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 p -176.35 -172.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 1.0 108.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 125' ' ' ASN . 3.9 mt -129.42 152.1 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.228 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.48 ' CG2' HD11 ' A' ' 127' ' ' ILE . 4.3 t -135.36 132.05 52.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.42 142.26 31.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 110.257 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -138.37 -176.19 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 122' ' ' LYS . 2.5 mtt -37.72 93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 39.91 57.64 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 109.237 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.98 150.11 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.427 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -118.41 134.03 55.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 1.0 111.012 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.586 ' O ' HG23 ' A' ' 117' ' ' ILE . 9.0 m120 -130.15 151.21 50.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 1.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.34 152.22 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 110.246 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.48 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.5 mt -115.15 116.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -99.35 133.03 44.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.697 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -51.09 140.33 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 1.0 109.259 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -122.82 16.31 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 1.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -174.91 97.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.0 109.33 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 78.2 p -40.82 142.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 1.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.424 ' O ' ' CD ' ' A' ' 108' ' ' LYS . . . 178.76 178.37 48.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.126 . . . . 1.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 155' ' ' ILE . 0.9 OUTLIER -113.2 154.45 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 1.0 110.351 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.635 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.8 p -43.82 165.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.0 109.373 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -150.85 -49.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 174.86 132.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 1.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 1.082 HG23 HG22 ' A' ' 153' ' ' VAL . 2.7 mm -100.67 113.67 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.793 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -81.4 -44.22 17.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.56 HG13 ' CE1' ' A' ' 91' ' ' PHE . 9.8 p -79.57 167.21 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.489 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.1 mt-10 -120.81 170.9 9.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.5 t -81.02 95.39 6.8 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.542 1.151 . . . . 1.0 109.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 115.33 -4.91 21.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 1.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -79.47 150.54 73.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 1.0 110.265 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.02 160.29 40.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 1.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 91' ' ' PHE . 6.1 m -139.92 156.57 25.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 1.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.531 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.4 OUTLIER -128.9 154.2 46.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 1.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.823 ' H ' HG22 ' A' ' 88' ' ' VAL . 15.0 t80 -62.71 135.2 57.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 10.7 t70 83.71 -6.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 1.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.47 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 37.8 mm-40 -87.74 149.78 46.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 1.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.793 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.99 168.28 25.2 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.435 1.755 . . . . 1.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.769 HD11 ' CA ' ' A' ' 85' ' ' SER . 54.1 mt -139.2 -79.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 1.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 1.082 HG22 HG23 ' A' ' 138' ' ' ILE . 19.1 t -120.36 139.6 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.977 HG13 ' CD1' ' A' ' 82' ' ' ILE . 66.3 t -107.79 120.4 59.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 1.023 HD13 ' CE1' ' A' ' 81' ' ' HIS . 1.2 mp -105.85 163.52 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.489 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.36 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.513 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.626 -0.509 . . . . 1.0 109.626 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.885 ' CG1' HG13 ' A' ' 154' ' ' VAL . 5.0 mt -90.86 123.91 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.475 1.109 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.523 HG21 HD13 ' A' ' 115' ' ' LEU . 95.8 t -83.38 135.43 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 1.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 2.4 mtm180 -124.33 117.43 24.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 1.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.705 ' HB2' HD21 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -41.12 101.05 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.446 1.761 . . . . 1.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.43 115.23 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 1.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.784 HG22 ' H ' ' A' ' 148' ' ' PHE . 19.4 t -52.02 138.37 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 1.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.71 -124.19 1.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 1.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 91' ' ' PHE . 84.2 m -127.04 170.61 12.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 1.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.71 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.4 t80 -140.52 143.36 35.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 110.951 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 69.8 m-85 -137.36 155.79 48.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 1.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -102.31 -15.14 16.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.961 HG22 ' HA ' ' A' ' 101' ' ' ALA . 81.2 p -131.68 155.53 81.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 1.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.66 19.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 1.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -150.59 168.67 10.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 1.0 110.072 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.31 12.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 1.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.21 34.23 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.419 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -119.66 150.49 40.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 1.0 109.24 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 170.47 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.961 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -90.01 133.16 34.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.933 ' CE1' HG21 ' A' ' 114' ' ' THR . 12.7 m-85 -54.2 -40.24 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 1.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.718 ' CD1' HG11 ' A' ' 109' ' ' VAL . 20.0 mt -139.35 114.7 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 1.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 4.1 tt0 -93.38 120.05 33.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 1.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 138' ' ' ILE . 92.0 t -40.29 116.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.429 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 110.63 22.16 6.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 1.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.69 165.18 22.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 1.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -109.59 168.75 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.718 HG11 ' CD1' ' A' ' 103' ' ' ILE . 16.6 m -149.62 148.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 27.6 p30 -121.33 142.23 50.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 1.0 109.267 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.599 HG23 ' H ' ' A' ' 132' ' ' SER . 3.3 t -40.47 109.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.115 . . . . 1.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.63 -3.47 7.06 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.488 1.118 . . . . 1.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.84 137.54 43.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 1.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.933 HG21 ' CE1' ' A' ' 102' ' ' PHE . 97.7 m -56.29 141.65 40.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.571 1.169 . . . . 1.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.782 HD21 HG22 ' A' ' 127' ' ' ILE . 2.1 pp -112.79 -32.85 6.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.505 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.75 -167.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.435 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.6 mt -136.73 150.82 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' THR . 55.0 t -133.56 130.06 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -92.97 129.42 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 1.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.92 153.88 26.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 7.1 mmm 47.14 42.11 12.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 1.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 121' ' ' MET . 16.2 pttp 48.9 45.96 22.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 1.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 143.77 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 1.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 124' ' ' MET . 1.0 OUTLIER -73.78 137.41 43.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -135.22 96.25 3.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 1.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -65.59 151.32 46.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.312 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.782 HG22 HD21 ' A' ' 115' ' ' LEU . 2.7 mm -119.19 115.84 49.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.103 . . . . 1.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -91.62 126.71 36.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 1.0 110.256 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -41.01 140.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 1.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -121.66 19.54 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 1.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.09 93.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 1.0 109.264 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.599 ' H ' HG23 ' A' ' 111' ' ' VAL . 60.1 p -39.9 146.53 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 1.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 171.23 -173.2 44.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 1.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 135' ' ' VAL . 3.6 m -116.63 170.66 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 1.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.496 ' N ' HG22 ' A' ' 134' ' ' THR . 7.3 p -55.61 157.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.495 1.122 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.0 OUTLIER -142.21 -47.41 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 1.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.35 133.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.869 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.67 136.08 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -105.67 -47.44 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 1.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.603 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.0 p -85.84 137.97 19.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 1.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.26 178.42 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.1 t -77.96 93.42 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 110.026 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.92 -15.95 6.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.457 1.098 . . . . 1.0 111.029 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -66.78 148.92 98.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 1.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.4 Cg_endo -74.92 169.71 22.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.421 1.748 . . . . 1.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' ' 91' ' ' PHE . 28.8 m -147.12 158.22 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 1.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.558 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -131.18 165.79 22.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.0 110.295 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.784 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.6 t80 -66.69 125.28 25.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.3 t70 82.01 -3.8 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 1.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -76.7 144.99 74.13 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 1.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.672 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.1 Cg_endo -75.0 150.22 37.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 1.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.705 HD21 ' HB2' ' A' ' 85' ' ' SER . 28.8 mt -123.41 -77.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.869 HG22 HG23 ' A' ' 138' ' ' ILE . 15.1 t -129.42 139.01 52.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.885 HG13 ' CG1' ' A' ' 82' ' ' ILE . 12.3 t -97.65 121.89 48.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -111.48 163.88 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.11 . . . . 1.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 40.0 tt0 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 1.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.916 HG13 HG13 ' A' ' 154' ' ' VAL . 2.2 mp -92.46 120.28 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.92 116.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 1.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -109.19 108.26 18.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 1.0 110.271 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.05 104.12 0.34 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 1.0 110.055 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.53 8.74 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 1.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.16 126.84 8.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 1.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.626 HG22 ' HA ' ' A' ' 147' ' ' GLU . 58.1 t -61.6 150.55 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 1.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.95 -116.7 0.76 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 1.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.458 ' N ' HG22 ' A' ' 146' ' ' VAL . 72.7 m -138.83 165.52 26.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 1.0 110.359 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.837 ' HD2' HD13 ' A' ' 152' ' ' LEU . 3.1 t80 -134.39 135.79 42.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 1.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 58.6 m-85 -132.21 146.19 51.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 1.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 19.3 mmm-85 -91.73 -16.07 27.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.946 HG22 ' HA ' ' A' ' 101' ' ' ALA . 69.0 p -136.35 155.34 77.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 110.404 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.464 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.3 Cg_endo -74.96 -11.6 21.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 1.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.89 170.73 6.15 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 1.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -24.87 12.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.424 1.75 . . . . 1.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -111.68 20.33 17.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 1.0 109.291 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' LYS . . . -109.3 148.28 31.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -52.48 -174.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.946 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -108.85 134.38 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.959 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 30.5 m-85 -63.39 -36.78 84.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 1.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.505 HG21 HD13 ' A' ' 115' ' ' LEU . 29.3 pt -137.08 115.18 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -98.39 113.25 25.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -40.34 116.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.376 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.618 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.4 20.19 7.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 1.0 111.021 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.07 159.33 34.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 1.0 110.245 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -101.31 168.13 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 133' ' ' GLY . 28.8 m -147.19 144.89 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 1.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.432 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.1 p-10 -134.16 150.99 51.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -40.36 108.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 1.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.56 -25.08 4.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 1.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.41 138.33 31.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.791 HG21 ' CD1' ' A' ' 102' ' ' PHE . 86.6 m -59.75 175.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.635 HD23 ' HB2' ' A' ' 129' ' ' ALA . 0.3 OUTLIER -135.7 -46.68 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 1.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 1.009 ' O ' HD13 ' A' ' 117' ' ' ILE . 27.0 p -174.46 -160.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 108.269 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 1.009 HD13 ' O ' ' A' ' 116' ' ' CYS . 8.9 mm -135.49 150.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.46 HG23 HG13 ' A' ' 127' ' ' ILE . 56.8 t -134.4 119.83 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 109.241 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -89.39 127.37 35.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 1.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.55 167.79 7.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 7.0 mtt 52.06 44.61 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 45.06 35.13 1.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 1.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.85 172.26 17.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.64 127.09 53.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 117' ' ' ILE . 9.0 m-80 -118.38 154.27 32.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.82 ' HG3' HD12 ' A' ' 117' ' ' ILE . 0.9 OUTLIER -111.62 150.49 30.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 1.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.46 HG13 HG23 ' A' ' 118' ' ' VAL . 4.7 mm -113.84 116.06 51.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 1.0 109.327 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -97.59 139.2 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.076 . . . . 1.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.635 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -43.88 133.07 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -121.03 15.47 11.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 1.0 109.357 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 6.9 tttp -176.96 88.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 1.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 81.6 p -39.25 135.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 110.002 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 177.04 -173.22 46.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.549 1.156 . . . . 1.0 111.015 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.0 OUTLIER -109.41 168.22 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 1.0 110.373 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.618 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.0 p -63.29 143.54 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.692 ' HD3' HG12 ' A' ' 154' ' ' VAL . 1.0 OUTLIER -119.62 -45.17 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.55 133.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 1.01 HG23 HG22 ' A' ' 153' ' ' VAL . 1.4 mt -98.69 135.25 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.04 -44.06 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.2 p -70.36 137.82 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 1.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 144' ' ' GLN . 0.2 OUTLIER -100.81 119.52 38.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 1.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.446 ' HB2' ' CG ' ' A' ' 93' ' ' ARG . 18.6 t -38.74 101.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 1.0 109.968 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 121.4 -5.08 10.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 1.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 141' ' ' GLU . 0.1 OUTLIER -87.35 151.77 51.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.408 0.71 . . . . 1.0 110.271 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 150.66 38.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 1.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.728 HG12 ' CD2' ' A' ' 152' ' ' LEU . 5.4 m -119.02 158.21 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.626 ' HA ' HG22 ' A' ' 88' ' ' VAL . 3.7 mt-10 -134.27 165.06 25.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.537 ' N ' HG22 ' A' ' 88' ' ' VAL . 22.6 t80 -59.05 138.41 57.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 1.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 55.37 19.14 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 1.0 109.239 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 36.2 tp10 -86.67 135.11 36.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.371 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 142.39 27.9 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.47 1.773 . . . . 1.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.837 HD13 ' HD2' ' A' ' 91' ' ' PHE . 70.8 mt -119.23 -80.32 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 1.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 1.01 HG22 HG23 ' A' ' 138' ' ' ILE . 8.7 t -117.89 150.28 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.916 HG13 HG13 ' A' ' 82' ' ' ILE . 21.3 t -106.85 126.56 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 1.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.458 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 2.0 mp -117.98 161.39 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 4.0 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 1.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.888 HG13 HG13 ' A' ' 154' ' ' VAL . 2.4 mp -88.44 118.72 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 1.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.06 123.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.9 mtt85 -105.51 116.29 31.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 1.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.762 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -40.31 100.45 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 1.0 109.985 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 0.42 8.94 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.419 1.747 . . . . 1.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.08 130.64 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.768 HG22 ' H ' ' A' ' 148' ' ' PHE . 6.7 t -66.89 145.85 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 1.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.17 -120.92 1.12 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 1.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 145' ' ' PRO . 46.5 m -128.86 166.7 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 1.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.768 ' HB2' HG11 ' A' ' 146' ' ' VAL . 5.8 t80 -136.89 137.01 39.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 110.989 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.575 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 63.9 m-85 -131.89 153.07 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.403 1.064 . . . . 1.0 111.055 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.846 ' HD2' HG21 ' A' ' 138' ' ' ILE . 3.3 mtp180 -108.69 -18.58 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.956 HG22 ' HA ' ' A' ' 101' ' ' ALA . 36.9 p -136.78 154.74 76.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 1.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.08 19.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 1.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -159.0 178.66 1.61 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.968 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -75.0 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 1.0 111.037 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -104.06 35.16 2.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 1.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.53 161.1 18.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 1.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -61.4 168.72 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.956 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -108.45 135.05 50.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 1.177 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.846 ' CE1' HG21 ' A' ' 114' ' ' THR . 26.4 m-85 -61.6 -37.64 84.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 1.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.9 pt -137.07 73.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.75 118.89 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.251 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.1 t -40.5 116.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 1.0 109.252 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.696 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 106.5 12.46 24.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 1.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -112.91 171.09 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.406 0.709 . . . . 1.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.721 ' HG2' HG23 ' A' ' 134' ' ' THR . 0.0 OUTLIER -119.92 168.22 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 1.0 109.223 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.7 m -146.72 141.11 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -122.82 149.28 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.4 109.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 1.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.03 -16.15 8.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 1.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.28 136.18 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 1.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.846 HG21 ' CE1' ' A' ' 102' ' ' PHE . 87.5 m -47.89 174.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 110.441 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.525 ' H ' HG22 ' A' ' 114' ' ' THR . 6.8 tp -138.58 -46.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.591 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -177.87 -167.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 125' ' ' ASN . 3.5 mt -134.95 148.03 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 1.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 90' ' ' THR . 41.5 t -129.32 128.29 66.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.536 1.148 . . . . 1.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.35 135.2 42.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -133.41 -176.24 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -37.99 93.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 39.88 57.4 2.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.497 1.123 . . . . 1.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -159.26 128.24 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.5 mtt -102.68 121.77 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.736 ' O ' HG23 ' A' ' 117' ' ' ILE . 7.9 m-80 -124.54 158.51 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.597 1.186 . . . . 1.0 109.212 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -116.65 167.04 11.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 115' ' ' LEU . 4.4 mm -128.2 115.97 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -95.65 145.15 25.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 1.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.489 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -60.45 134.05 56.69 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.136 . . . . 1.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -116.84 15.31 15.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -174.93 93.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 83.8 p -39.95 137.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.96 -173.27 43.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 1.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.721 HG23 ' HG2' ' A' ' 108' ' ' LYS . 6.9 m -110.55 -174.33 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.726 . . . . 1.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.701 ' H ' HG22 ' A' ' 134' ' ' THR . 10.4 p -78.65 142.79 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 1.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.84 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -121.58 -47.18 2.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 1.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.81 133.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.846 HG21 ' HD2' ' A' ' 93' ' ' ARG . 1.6 mt -99.59 117.65 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 1.034 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -87.87 -43.1 12.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' A' ' 91' ' ' PHE . 10.8 p -81.62 137.94 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.418 ' HA ' ' NH1' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -89.95 151.78 21.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.9 t -64.88 85.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 131.67 -5.49 5.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 1.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -81.1 150.94 69.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.791 . . . . 1.0 110.32 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.3 Cg_endo -74.89 158.8 42.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 1.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.768 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.7 m -138.86 158.69 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 1.0 109.302 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.76 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.2 tt0 -128.23 159.92 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.768 ' H ' HG22 ' A' ' 88' ' ' VAL . 22.3 t80 -65.33 130.71 44.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 1.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 18.9 t0 83.2 -5.6 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.22 146.88 52.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.51 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.05 147.42 33.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 1.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' A' ' 85' ' ' SER . 90.0 mt -116.47 -79.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 1.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.759 HG22 HG23 ' A' ' 138' ' ' ILE . 11.0 t -124.23 151.87 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 1.034 HG23 HD21 ' A' ' 139' ' ' LEU . 14.9 t -106.37 124.08 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.464 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.5 mp -114.01 159.9 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.6 tm-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 110.239 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.9 t60 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.988 ' CD1' HG13 ' A' ' 154' ' ' VAL . 8.6 mm -137.48 120.86 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 1.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.499 HG12 HD12 ' A' ' 152' ' ' LEU . 61.2 t -86.98 116.37 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 1.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -105.33 122.36 45.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 1.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.823 ' HA ' HD11 ' A' ' 152' ' ' LEU . 5.9 t -45.96 105.45 0.47 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 1.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.43 8.9 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 1.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -160.13 134.66 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 1.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.88 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.0 t -68.72 139.53 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 109.253 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.18 -122.3 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 1.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 91' ' ' PHE . 59.4 m -130.63 169.09 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 0.811 . . . . 1.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.795 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.6 t80 -138.93 138.39 37.32 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 1.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.486 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 66.6 m-85 -129.6 161.31 30.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.607 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 7.0 mmm-85 -110.76 -14.2 14.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 1.0 110.305 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.951 HG22 ' HA ' ' A' ' 101' ' ' ALA . 46.2 p -134.51 155.4 79.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 1.0 110.437 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.27 9.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 1.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.508 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.92 178.67 1.37 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.05 -41.96 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.465 1.771 . . . . 1.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -99.95 36.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -118.96 154.29 33.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.385 1.053 . . . . 1.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -66.59 166.69 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.951 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -88.06 133.59 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 1.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.909 ' CE1' HG21 ' A' ' 114' ' ' THR . 20.1 m-85 -56.67 -39.13 73.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 1.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.61 93.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.052 . . . . 1.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.28 125.03 28.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.0 110.25 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.411 ' HA ' HG21 ' A' ' 135' ' ' VAL . 60.8 t -40.26 116.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 1.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.697 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.34 13.28 10.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 1.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -122.61 171.15 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 1.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.437 ' C ' HG13 ' A' ' 109' ' ' VAL . 1.4 pttt -118.02 178.56 4.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 1.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.618 HG21 HD21 ' A' ' 115' ' ' LEU . 31.6 m -154.45 144.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 1.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -118.42 171.91 7.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 1.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.94 108.95 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 1.0 109.369 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.15 -8.04 12.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.563 1.165 . . . . 1.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.46 135.55 34.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 0.712 . . . . 1.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.909 HG21 ' CE1' ' A' ' 102' ' ' PHE . 92.0 m -57.88 147.27 29.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 1.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 129' ' ' ALA . 6.5 mt -114.64 -36.45 4.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 1.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.675 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 174.06 -173.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 1.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.429 HG13 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -127.35 161.61 34.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 1.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.496 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.0 t -146.27 128.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.4 tt0 -84.18 132.62 34.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -161.46 151.69 17.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 1.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.493 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 8.2 mmm 47.51 43.16 15.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 1.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 121' ' ' MET . 9.4 pttm 49.08 44.86 23.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.0 mmt -163.0 140.77 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 1.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -68.34 142.68 55.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 1.0 111.058 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -136.9 103.27 5.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.174 . . . . 1.0 109.369 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.32 157.49 36.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 1.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.496 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -125.89 117.2 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -90.86 129.28 36.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.63 ' HA ' HD12 ' A' ' 115' ' ' LEU . . . -40.45 133.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 1.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.13 14.92 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -174.31 88.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' LYS . 10.3 m -39.17 137.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 1.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.88 -174.71 46.18 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.51 1.131 . . . . 1.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -114.27 168.77 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 0.803 . . . . 1.0 110.393 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.697 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.7 p -59.14 158.12 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 1.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 16.1 tptt -145.22 -46.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 1.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.07 132.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 1.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.931 HG23 HG22 ' A' ' 153' ' ' VAL . 0.8 OUTLIER -104.57 128.02 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.716 HD21 HG23 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -94.86 -46.98 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 1.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.616 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.6 p -79.49 148.13 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.52 169.9 8.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 1.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 18.2 t -77.49 87.51 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.486 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.35 -5.54 7.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.96 150.67 75.35 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.533 0.784 . . . . 1.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.01 158.74 41.98 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.537 1.809 . . . . 1.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.795 HG11 ' HB2' ' A' ' 91' ' ' PHE . 4.0 m -138.45 157.42 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 1.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.64 ' HG3' HG13 ' A' ' 88' ' ' VAL . 5.5 mp0 -131.66 151.08 51.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 1.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.88 ' H ' HG22 ' A' ' 88' ' ' VAL . 8.3 t80 -61.32 136.74 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 1.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.8 t70 84.33 -7.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.46 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 4.1 mt-10 -92.23 148.95 37.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 1.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.594 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -75.0 160.8 39.73 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.509 1.794 . . . . 1.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.823 HD11 ' HA ' ' A' ' 85' ' ' SER . 59.5 mt -127.26 -76.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.931 HG22 HG23 ' A' ' 138' ' ' ILE . 34.7 t -125.72 137.97 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.988 HG13 ' CD1' ' A' ' 82' ' ' ILE . 38.5 t -96.31 124.66 49.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.8 mp -108.67 164.27 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.5 ' CG ' ' HB ' ' A' ' 134' ' ' THR . 7.3 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 1.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.485 ' CG ' ' N ' ' A' ' 82' ' ' ILE . 26.2 t60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.586 -0.524 . . . . 1.0 109.586 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.485 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 14.6 mt -141.09 116.53 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 152' ' ' LEU . 39.3 t -71.47 117.81 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 1.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -104.62 109.74 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.068 . . . . 1.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.863 ' HB3' HD11 ' A' ' 152' ' ' LEU . 2.2 p -44.57 105.98 0.49 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 0.75 8.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 1.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.18 133.92 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 1.0 111.006 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.756 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.7 t -77.44 138.86 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 1.0 109.375 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.99 -123.82 1.25 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 1.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 118' ' ' VAL . 21.9 m -122.23 167.93 12.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 1.0 110.433 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.816 ' HD2' HD13 ' A' ' 152' ' ' LEU . 14.4 t80 -137.73 138.5 39.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 1.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.4 m-85 -136.4 147.59 47.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 1.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.773 ' HD2' HG21 ' A' ' 138' ' ' ILE . 7.0 mtp180 -107.3 -19.26 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . 1.017 HG22 ' HA ' ' A' ' 101' ' ' ALA . 40.5 p -136.86 155.14 76.6 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 1.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -10.94 21.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 1.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.454 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.5 OUTLIER -165.47 172.71 4.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 110.027 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -27.0 10.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 1.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.04 24.3 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -107.64 161.89 14.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 1.0 109.206 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -59.18 176.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 1.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.017 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -116.33 135.2 54.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.871 ' CD1' HG21 ' A' ' 114' ' ' THR . 21.5 m-85 -61.51 -38.07 86.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -128.06 88.78 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.36 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 110.1 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.0 110.272 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.0 t -40.23 117.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 1.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.758 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 106.18 6.09 36.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 1.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 165.12 11.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 1.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.62 169.21 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.5 m -147.26 139.1 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.475 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.7 t-20 -124.31 154.67 39.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.24 108.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 1.0 109.403 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.24 -37.98 2.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 1.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.74 135.15 46.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 0.728 . . . . 1.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.871 HG21 ' CD1' ' A' ' 102' ' ' PHE . 94.5 m -53.47 172.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 1.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 115' ' ' LEU . 5.6 mt -135.73 -46.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 1.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.509 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 26.8 p -178.13 -160.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 1.0 108.354 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.611 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.5 mt -139.77 154.9 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.514 ' CG2' HD11 ' A' ' 127' ' ' ILE . 47.3 t -140.05 129.25 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.19 125.5 34.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -151.17 149.53 29.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 1.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 11.8 mtp 47.39 43.41 15.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 121' ' ' MET . 1.2 ptpp? 49.09 44.78 23.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.4 tpt -158.95 131.37 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.77 139.82 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -137.14 103.57 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 1.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -68.24 156.7 37.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 118' ' ' VAL . 3.5 mt -123.12 115.85 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 1.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.0 132.79 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.5 132.97 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 1.0 109.338 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -123.99 15.15 9.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.8 tttp -172.37 86.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 1.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 84.0 p -39.23 130.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 110.036 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -168.97 -172.28 35.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.567 1.167 . . . . 1.0 111.002 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.763 HG22 ' HB3' ' A' ' 156' ' ' GLU . 14.2 t -123.01 147.39 46.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 1.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.758 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.0 p -41.39 160.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.749 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.5 OUTLIER -150.88 -46.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 1.0 109.369 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.793 ' C ' HD13 ' A' ' 138' ' ' ILE . . . 172.95 133.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 1.024 HD12 HG13 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -101.66 112.14 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 1.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.884 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -82.19 -40.84 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 1.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.674 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.3 p -84.99 140.81 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.389 1.055 . . . . 1.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.8 163.15 12.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 1.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.31 100.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 1.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 118.24 -25.53 8.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 1.0 111.039 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.469 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -58.84 151.81 52.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 1.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.4 Cg_endo -75.08 169.29 22.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.582 1.833 . . . . 1.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.624 HG12 ' CD2' ' A' ' 152' ' ' LEU . 2.0 m -143.02 156.44 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 1.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.679 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.1 tp10 -138.31 156.84 47.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.756 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.8 t80 -59.47 138.23 57.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 1.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.3 t70 72.03 6.27 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 1.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.1 tp10 -93.15 136.51 24.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.551 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.97 143.81 29.6 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.789 . . . . 1.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 85' ' ' SER . 33.4 mt -114.63 -79.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.603 1.189 . . . . 1.0 109.329 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 1.024 HG13 HD12 ' A' ' 138' ' ' ILE . 54.6 t -112.64 137.77 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.884 HG23 HD21 ' A' ' 139' ' ' LEU . 69.9 t -99.58 124.63 53.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 1.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.3 mm -111.66 163.95 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.763 ' HB3' HG22 ' A' ' 134' ' ' THR . 1.2 tm-20 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 1.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CE1' HD13 ' A' ' 155' ' ' ILE . 4.9 p80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.643 -0.502 . . . . 1.0 109.643 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.471 HG13 HG13 ' A' ' 154' ' ' VAL . 4.0 mp -90.73 116.13 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 1.0 109.233 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 152' ' ' LEU . 50.7 t -77.13 117.45 22.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.077 . . . . 1.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -98.5 122.22 41.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 110.363 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.751 ' HA ' HD11 ' A' ' 152' ' ' LEU . 1.4 t -39.05 99.56 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 1.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.14 9.24 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 1.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.45 117.69 3.13 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 1.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.817 HG13 ' HA ' ' A' ' 147' ' ' GLU . 4.6 t -60.67 140.01 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.99 -117.35 0.78 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.402 1.064 . . . . 1.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.512 ' O ' HG13 ' A' ' 118' ' ' VAL . 88.5 m -129.97 168.4 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 1.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.777 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.7 t80 -140.67 139.59 34.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 62.9 m-85 -131.01 162.21 30.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.5 mmm-85 -109.69 -13.73 14.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 1.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.99 HG22 ' HA ' ' A' ' 101' ' ' ALA . 76.5 p -131.84 155.46 81.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 1.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.83 12.51 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.547 1.814 . . . . 1.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -145.51 174.15 3.69 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 -37.82 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 1.0 111.023 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -105.51 45.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.616 1.198 . . . . 1.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.52 153.73 48.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 1.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 166.65 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.99 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -79.43 133.03 36.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 1.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.779 ' CE1' HG21 ' A' ' 114' ' ' THR . 8.4 m-85 -50.47 -41.85 53.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 1.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.945 ' O ' HD12 ' A' ' 103' ' ' ILE . 2.7 pp -132.8 115.07 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.82 116.46 25.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.358 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.5 t -40.74 116.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.537 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.85 16.41 9.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 1.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -120.65 171.09 8.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.772 . . . . 1.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 166.43 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 1.0 109.388 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.506 HG21 HD11 ' A' ' 115' ' ' LEU . 15.0 m -143.03 138.49 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -118.1 143.26 46.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 1.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.41 109.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.91 -17.42 7.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.51 138.68 31.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 0.771 . . . . 1.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.779 HG21 ' CE1' ' A' ' 102' ' ' PHE . 65.4 m -62.78 144.47 56.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.506 HD11 HG21 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -113.3 -33.93 5.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 1.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.576 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 176.17 -173.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 1.0 108.279 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 118' ' ' VAL . 4.9 mt -126.58 160.5 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 1.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 90' ' ' THR . 24.4 t -145.65 125.81 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 1.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.5 tt0 -84.65 130.55 34.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -158.15 152.26 24.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 1.0 109.372 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.85 19.52 2.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.42 39.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.39 150.37 23.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 1.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -73.99 135.01 43.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.407 1.067 . . . . 1.0 110.985 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -132.84 102.67 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.66 ' HG3' HG23 ' A' ' 114' ' ' THR . 6.7 tt0 -66.48 157.79 31.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.467 ' N ' ' CG ' ' A' ' 126' ' ' GLN . 2.8 mm -122.45 115.73 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -92.57 129.86 38.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.07 . . . . 1.0 110.333 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -45.98 143.6 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -123.64 18.16 9.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 1.0 109.282 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.7 tttm 179.83 94.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.7 p -39.42 149.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.497 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 170.65 -172.98 44.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.43 1.082 . . . . 1.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 135' ' ' VAL . 2.5 m -109.8 -175.2 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 0.745 . . . . 1.0 110.383 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.578 ' H ' HG22 ' A' ' 134' ' ' THR . 8.8 p -82.38 138.88 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.664 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -116.92 -46.51 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 109.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.61 140.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 1.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.829 HD12 ' CG1' ' A' ' 153' ' ' VAL . 0.9 OUTLIER -103.55 128.7 56.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.759 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -99.21 -41.99 7.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 1.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.665 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.8 p -83.72 150.35 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -103.89 172.73 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 110.281 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 p -81.01 97.34 7.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 1.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 118.51 -14.46 11.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 1.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 150.44 96.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.507 0.769 . . . . 1.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.63 34.97 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 1.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 91' ' ' PHE . 21.7 m -142.13 158.42 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 1.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.817 ' HA ' HG13 ' A' ' 88' ' ' VAL . 15.3 tt0 -140.62 154.12 46.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 1.0 110.349 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.809 ' H ' HG22 ' A' ' 88' ' ' VAL . 1.4 t80 -60.85 137.83 58.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 1.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.95 -8.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.0 109.368 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.97 144.53 30.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.747 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -74.98 157.59 42.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 1.0 111.06 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 85' ' ' SER . 74.0 mt -124.4 -81.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 1.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.829 ' CG1' HD12 ' A' ' 138' ' ' ILE . 3.4 t -121.27 144.17 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.575 1.172 . . . . 1.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.759 HG23 HD21 ' A' ' 139' ' ' LEU . 49.9 t -104.05 120.55 54.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 1.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.604 HD13 ' CE1' ' A' ' 81' ' ' HIS . 1.6 mp -105.14 163.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 1.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.2 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.664 -0.495 . . . . 1.0 109.664 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.638 HG12 HG13 ' A' ' 154' ' ' VAL . 37.4 mt -86.5 122.49 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.773 HG21 HD23 ' A' ' 115' ' ' LEU . 4.7 t -78.66 126.23 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -111.78 117.22 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.698 ' HB2' HD21 ' A' ' 152' ' ' LEU . 2.7 t -48.34 107.12 0.69 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 1.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.53 8.82 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 1.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.09 153.87 42.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.868 HG22 ' H ' ' A' ' 148' ' ' PHE . 6.1 t -94.29 139.12 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 145' ' ' PRO . . . 157.08 -113.51 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 1.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 95.4 m -135.5 166.11 23.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.752 . . . . 1.0 110.384 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.852 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.6 t80 -134.28 139.1 45.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.2 m-85 -132.77 159.23 40.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 1.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.841 ' HD2' HG21 ' A' ' 138' ' ' ILE . 5.9 mtp180 -115.29 -17.79 11.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 110.336 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.983 HG22 ' HA ' ' A' ' 101' ' ' ALA . 57.4 p -136.08 155.39 77.62 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 1.0 110.444 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -13.5 21.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 1.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -158.98 178.76 1.57 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 1.0 110.03 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 -48.03 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 1.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -99.87 26.69 6.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.439 ' HB2' ' OG ' ' A' ' 96' ' ' SER . . . -103.02 159.8 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -60.17 168.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.983 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -106.68 137.36 44.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 1.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.843 ' O ' HD13 ' A' ' 103' ' ' ILE . 14.0 m-85 -59.91 -39.56 85.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 1.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 102' ' ' PHE . 4.8 mm -132.7 100.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 107' ' ' GLN . 10.1 pt-20 -81.76 112.29 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 1.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.526 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.8 t -40.36 116.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 109.348 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.713 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 112.14 8.78 21.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 1.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.45 ' HB2' ' CG ' ' A' ' 104' ' ' GLU . 6.3 tt0 -114.89 167.07 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 1.0 110.364 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -111.44 160.28 17.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 1.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.46 HG11 HD12 ' A' ' 103' ' ' ILE . 29.2 m -138.18 143.25 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.6 m-80 -125.64 151.17 46.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.5 p -40.08 109.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 1.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.8 -22.47 6.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 1.0 111.044 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.18 134.53 34.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 0.713 . . . . 1.0 109.206 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.829 HG21 ' CE1' ' A' ' 102' ' ' PHE . 95.4 m -53.87 172.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.773 HD23 HG21 ' A' ' 83' ' ' VAL . 3.7 tp -136.64 -45.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.658 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p -178.86 -173.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 108.237 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.47 HD11 ' CE2' ' A' ' 102' ' ' PHE . 2.7 mt -126.39 160.31 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 1.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 90' ' ' THR . 22.0 t -143.78 122.91 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 1.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.43 129.25 34.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -174.51 170.8 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.7 ptt? 42.39 46.15 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 40.94 51.75 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -177.94 161.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 1.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.14 134.31 35.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 1.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -125.56 102.22 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -72.37 157.71 37.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.49 115.76 44.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 1.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -93.23 144.04 25.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.525 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -60.22 135.56 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.13 15.07 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.98 91.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 1.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 88.1 p -39.28 141.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 109.934 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.76 -173.35 43.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.445 1.09 . . . . 1.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.1 m -113.85 164.89 13.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 1.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.713 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.2 p -61.98 151.08 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.852 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -130.94 -48.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 1.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.72 141.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.841 HG21 ' HD2' ' A' ' 93' ' ' ARG . 2.3 mt -102.0 123.36 55.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 1.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.862 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -96.48 -43.9 7.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.596 HG13 ' CE1' ' A' ' 91' ' ' PHE . 8.0 p -72.45 137.68 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 142' ' ' SER . 3.8 tm-20 -96.06 104.48 16.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 1.0 110.261 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 141' ' ' GLU . 8.5 p -36.65 104.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 110.063 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 122.44 -4.46 10.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.123 . . . . 1.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -97.39 153.25 38.45 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 1.0 110.276 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 89' ' ' GLY . 18.3 Cg_endo -74.94 138.99 23.93 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.852 HG11 ' HB2' ' A' ' 91' ' ' PHE . 1.8 m -119.35 166.42 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 1.0 109.292 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.655 ' HA ' HG13 ' A' ' 88' ' ' VAL . 27.5 tt0 -135.18 152.65 51.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 1.07 . . . . 1.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.868 ' H ' HG22 ' A' ' 88' ' ' VAL . 6.7 t80 -61.23 137.3 58.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.5 t70 85.46 -8.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.421 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 4.6 mt-10 -90.04 144.42 31.31 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 110.237 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -74.91 165.72 30.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 1.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 85' ' ' SER . 24.0 mt -132.17 -79.48 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 1.0 109.38 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 138' ' ' ILE . 2.0 t -115.58 155.54 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.862 ' CG2' HD21 ' A' ' 139' ' ' LEU . 19.4 t -110.03 123.35 65.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.392 1.058 . . . . 1.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.2 mp -113.04 163.81 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.528 HG12 HG13 ' A' ' 154' ' ' VAL . 69.2 mt -139.46 116.11 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 1.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.891 HG12 HD12 ' A' ' 152' ' ' LEU . 52.5 t -82.54 120.56 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 1.0 109.217 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.679 HH21 ' HA ' ' A' ' 149' ' ' ASP . 68.4 mtp180 -107.15 118.21 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 1.0 110.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.901 ' OG ' HD21 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -38.71 99.24 0.19 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 110.014 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -74.98 -1.07 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.799 . . . . 1.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.03 121.27 6.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 1.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 148' ' ' PHE . 21.5 t -62.4 143.96 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 1.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.92 -118.32 0.87 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 1.0 111.035 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 143' ' ' GLY . 92.0 m -131.49 166.32 21.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 1.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.792 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -137.04 134.14 36.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 59.2 m-85 -126.4 161.96 26.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 1.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.5 mmm-85 -110.54 -13.71 14.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 1.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.99 HG22 ' HA ' ' A' ' 101' ' ' ALA . 39.4 p -136.63 155.54 76.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 1.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -10.6 21.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.78 . . . . 1.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -159.21 175.46 3.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 110.019 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -32.67 5.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 1.0 111.036 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.87 25.47 10.7 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.515 1.134 . . . . 1.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -103.04 152.56 21.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 1.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -52.6 170.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 1.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.99 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -98.5 133.61 42.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 1.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.958 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 19.8 m-85 -56.93 -39.15 73.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 1.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.1 pt -143.29 124.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -99.35 110.99 23.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 1.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.487 ' HA ' HG21 ' A' ' 135' ' ' VAL . 75.3 t -40.3 116.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.538 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.29 28.65 5.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.085 . . . . 1.0 111.054 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.98 171.08 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 1.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -112.87 113.71 25.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 132' ' ' SER . 26.5 m -107.48 142.76 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 1.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.444 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 95.8 m-20 -124.79 147.54 48.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 1.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.24 109.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.572 1.17 . . . . 1.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.41 -16.49 5.15 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 1.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.87 137.59 33.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 1.0 109.243 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.584 HG21 ' CE1' ' A' ' 102' ' ' PHE . 46.7 m -55.3 176.59 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 1.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.612 HD21 HD11 ' A' ' 155' ' ' ILE . 5.2 tp -136.05 -46.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.747 ' O ' HD13 ' A' ' 117' ' ' ILE . 1.2 p -175.9 -173.08 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 1.0 108.284 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.958 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 17.3 mm -124.32 160.82 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 1.0 109.309 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 90' ' ' THR . 6.3 t -143.0 125.62 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -91.09 137.48 32.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.805 ' HB3' ' CG ' ' A' ' 123' ' ' MET . . . -135.91 -176.13 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 122' ' ' LYS . 1.7 mmt -39.64 93.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 40.02 55.22 2.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.805 ' CG ' ' HB3' ' A' ' 120' ' ' ALA . 5.2 ptp -160.41 150.85 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.0 mtm -115.32 124.95 52.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 1.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -115.77 143.58 45.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 1.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.691 ' HG3' HD12 ' A' ' 117' ' ' ILE . 1.1 mt-30 -110.69 138.86 46.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mm -103.11 116.47 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -102.96 137.32 41.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -58.04 132.95 55.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -110.17 13.77 23.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 1.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.0 tttt 178.76 112.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.087 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 58.2 p -39.02 146.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 110.061 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -161.57 -173.16 29.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.18 . . . . 1.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.751 ' O ' HG12 ' A' ' 135' ' ' VAL . 6.5 t -142.26 53.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 0.803 . . . . 1.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 134' ' ' THR . 6.1 p 50.71 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.791 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -166.78 -47.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 1.0 109.283 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.27 133.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.965 HG23 HG22 ' A' ' 153' ' ' VAL . 1.5 mt -100.55 118.73 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -89.84 -36.66 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.369 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' A' ' 91' ' ' PHE . 8.8 p -81.42 159.89 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.89 156.01 23.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.62 93.09 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 1.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 120.55 -23.09 8.07 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.536 1.147 . . . . 1.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.61 151.48 83.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.736 . . . . 1.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.5 Cg_endo -74.94 158.24 42.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 1.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.792 HG11 ' HB2' ' A' ' 91' ' ' PHE . 8.7 m -135.8 156.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 1.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.472 ' HA ' HG13 ' A' ' 88' ' ' VAL . 18.5 tp10 -133.08 151.64 52.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.794 ' H ' HG22 ' A' ' 88' ' ' VAL . 11.9 t80 -60.2 138.56 57.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 1.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.679 ' HA ' HH21 ' A' ' 84' ' ' ARG . 0.0 OUTLIER 85.27 -9.13 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 1.0 109.343 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 5.4 mt-10 -91.57 141.9 26.3 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 1.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.487 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.03 161.93 37.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 1.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.901 HD21 ' OG ' ' A' ' 85' ' ' SER . 17.6 mt -124.54 -76.4 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 1.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.965 HG22 HG23 ' A' ' 138' ' ' ILE . 4.1 t -129.24 139.56 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.594 1.184 . . . . 1.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.791 HG12 ' HD3' ' A' ' 136' ' ' LYS . 38.6 t -100.53 129.05 51.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 1.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.612 HD11 HD21 ' A' ' 115' ' ' LEU . 2.4 mp -112.7 167.86 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.0 109.391 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.646 ' HB3' HG22 ' A' ' 134' ' ' THR . 2.2 tt0 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 1.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.654 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.892 ' CD1' HG13 ' A' ' 154' ' ' VAL . 35.9 mm -91.34 116.02 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.854 HG11 HD11 ' A' ' 115' ' ' LEU . 70.6 t -79.68 117.37 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.083 . . . . 1.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -119.17 129.23 54.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.697 ' OG ' HD11 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -57.78 109.77 2.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 110.012 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.51 8.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.501 1.79 . . . . 1.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.2 126.58 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 1.0 111.034 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.787 HG22 ' HA ' ' A' ' 147' ' ' GLU . 19.8 t -49.13 150.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.534 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 161.8 -134.06 3.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 1.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 143' ' ' GLY . 84.8 m -139.17 126.85 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.767 . . . . 1.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.643 ' HD2' HD13 ' A' ' 152' ' ' LEU . 4.7 t80 -90.27 133.83 34.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 1.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 40.8 m-85 -130.0 146.69 51.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.542 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 20.5 mmm-85 -95.64 -13.69 24.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 1.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.916 HG22 ' HA ' ' A' ' 101' ' ' ALA . 27.6 p -135.6 155.45 78.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 1.0 110.381 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -25.66 11.66 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.477 1.777 . . . . 1.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.49 177.59 1.77 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 1.0 109.986 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 -41.35 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 1.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -108.11 54.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.44 161.12 35.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 167.02 10.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 1.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.916 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.47 133.83 34.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.0 109.371 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' A' ' 114' ' ' THR . 14.0 m-85 -53.26 -40.82 64.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 1.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 22.8 pt -140.6 125.66 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 1.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' VAL . 18.7 mm-40 -102.0 119.72 39.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 1.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' A' ' 135' ' ' VAL . 79.2 t -40.42 116.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 1.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.627 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 115.71 14.93 7.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.414 1.071 . . . . 1.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -125.89 165.55 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 1.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 165.39 11.61 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.48 1.112 . . . . 1.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.15 140.29 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 1.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -117.7 146.22 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.41 109.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.45 -11.88 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 1.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.8 137.81 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.747 HG23 ' HG3' ' A' ' 126' ' ' GLN . 61.8 m -66.34 142.15 57.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 1.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.035 HD21 HG22 ' A' ' 127' ' ' ILE . 1.3 pp -112.64 -31.99 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 1.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.608 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.1 p -177.39 -170.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 1.0 108.217 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.732 HD13 ' HA ' ' A' ' 126' ' ' GLN . 24.9 mm -130.62 156.37 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 1.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.94 117.4 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 1.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -99.18 133.17 43.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 1.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -167.24 155.54 9.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 1.0 109.399 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.3 mtp 49.93 31.61 4.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 1.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 59.21 44.67 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -151.07 153.28 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.5 ttp -92.3 137.31 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 1.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -137.05 92.13 2.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 1.0 109.357 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.747 ' HG3' HG23 ' A' ' 114' ' ' THR . 5.7 tt0 -65.96 142.61 57.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 1.0 110.313 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 1.035 HG22 HD21 ' A' ' 115' ' ' LEU . 9.0 mm -103.47 115.82 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.21 125.78 41.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.64 133.21 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 109.233 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -115.3 15.08 16.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.2 tmtp? -169.94 88.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.09 . . . . 1.0 109.39 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' LYS . 59.8 p -39.3 138.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.52 -173.05 43.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 1.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 135' ' ' VAL . 5.5 m -111.59 169.07 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 1.0 110.447 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.627 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.0 p -63.7 141.74 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.776 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -121.93 -45.17 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 1.0 109.379 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.76 133.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 1.0 109.239 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.954 HG23 HG22 ' A' ' 153' ' ' VAL . 1.4 mt -99.85 133.06 44.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 1.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.415 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -106.95 -44.52 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 1.0 109.287 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.605 HG21 ' HB3' ' A' ' 91' ' ' PHE . 14.4 p -70.66 144.43 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 1.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 143' ' ' GLY . 1.1 tp10 -103.67 140.58 37.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 1.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.6 p -50.18 92.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 1.0 109.975 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 132.26 -24.49 3.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 1.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 148.0 54.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 1.0 110.265 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.09 21.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 1.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.753 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.4 m -138.83 159.11 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.787 ' HA ' HG22 ' A' ' 88' ' ' VAL . 4.1 tt0 -138.94 173.13 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 15.0 t80 -69.08 114.42 7.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 1.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.31 11.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 1.0 109.319 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.27 145.7 56.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.524 ' O ' HD23 ' A' ' 152' ' ' LEU . 18.1 Cg_endo -75.0 159.04 41.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.563 1.823 . . . . 1.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.697 HD11 ' OG ' ' A' ' 85' ' ' SER . 90.0 mt -136.48 -80.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.954 HG22 HG23 ' A' ' 138' ' ' ILE . 22.0 t -126.58 154.48 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.892 HG13 ' CD1' ' A' ' 82' ' ' ILE . 72.9 t -107.75 122.3 61.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 1.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -115.99 163.77 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.435 1.084 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 11.7 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.647 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.626 HD13 HG13 ' A' ' 154' ' ' VAL . 4.0 mm -82.64 123.8 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 1.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.647 HG22 ' CE1' ' A' ' 81' ' ' HIS . 59.6 t -87.77 116.38 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 1.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -106.71 123.24 47.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.765 ' HB2' HD21 ' A' ' 152' ' ' LEU . 4.3 t -55.21 108.69 1.24 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.28 9.13 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.504 1.791 . . . . 1.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 ttp -142.07 154.3 44.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.834 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.7 t -94.6 138.79 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 145' ' ' PRO . . . 157.81 -113.76 0.58 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 1.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 86.1 m -136.7 161.5 35.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.382 0.696 . . . . 1.0 110.449 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.825 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -128.18 136.9 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 1.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 50.8 m-85 -132.08 159.7 38.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 1.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.79 ' HD2' HG21 ' A' ' 138' ' ' ILE . 1.0 OUTLIER -114.76 -17.59 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 1.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 1.003 HG22 ' HA ' ' A' ' 101' ' ' ALA . 75.4 p -135.27 155.29 78.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -10.41 21.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 1.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -163.6 178.79 1.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 110.039 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -50.54 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.557 1.82 . . . . 1.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.46 31.84 2.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 1.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -111.51 154.71 24.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 1.0 109.215 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.87 169.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.003 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -106.49 137.61 44.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 1.0 109.292 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 1.004 ' CD2' HD11 ' A' ' 117' ' ' ILE . 10.7 m-85 -57.9 -40.57 80.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 1.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.587 HD13 HG11 ' A' ' 109' ' ' VAL . 1.1 tp -132.53 103.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.176 . . . . 1.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -82.34 112.96 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 1.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.579 HG22 HD11 ' A' ' 138' ' ' ILE . 90.1 t -40.06 116.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.651 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.78 11.13 17.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 1.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -117.49 167.32 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 1.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 15.2 tttp -111.22 165.02 12.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 1.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.587 HG11 HD13 ' A' ' 103' ' ' ILE . 28.1 m -143.83 142.83 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 15.8 m-80 -120.94 148.62 43.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.5 p -39.8 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 1.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.48 -19.29 6.32 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.565 1.166 . . . . 1.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.86 135.25 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 0.741 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.836 HG21 ' CE1' ' A' ' 102' ' ' PHE . 94.1 m -52.92 172.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.47 1.106 . . . . 1.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.734 HD23 ' HB2' ' A' ' 129' ' ' ALA . 0.1 OUTLIER -137.51 -45.43 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 1.0 109.353 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.577 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.3 p -174.09 -172.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 108.272 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 1.004 HD11 ' CD2' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -126.23 157.92 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 1.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' THR . 76.8 t -138.48 116.71 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 1.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.47 126.13 35.45 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 1.0 110.244 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -122.69 -175.88 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 1.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -47.29 91.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 1.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 45.91 41.03 7.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 1.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.17 106.77 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 1.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 ttp -80.72 127.98 33.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 1.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 117' ' ' ILE . 7.4 m120 -126.77 157.57 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -124.76 156.34 37.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 1.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 115' ' ' LEU . 6.8 mm -115.82 116.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 1.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -103.17 126.56 50.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 1.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.734 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -42.12 133.03 3.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 1.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -116.16 12.34 15.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 1.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 4.0 tttt -169.44 93.49 0.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 1.0 109.244 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 72.1 p -38.76 136.7 0.71 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.554 1.159 . . . . 1.0 109.99 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.23 -172.6 41.12 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.536 1.147 . . . . 1.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.8 m -113.22 167.01 10.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.795 . . . . 1.0 110.451 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.651 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.4 p -63.22 147.34 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.668 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -124.98 -48.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 1.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.17 134.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.235 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.836 HG23 HG22 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -94.42 126.1 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 1.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.837 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -99.49 -42.83 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.652 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.7 p -74.93 137.87 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 1.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 1.2 mt-10 -95.53 104.55 16.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' GLU . 6.5 t -37.6 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 1.0 110.062 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.92 -5.32 6.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 1.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.483 ' NE2' HG23 ' A' ' 140' ' ' VAL . 5.7 pt20 -97.24 152.4 38.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 1.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 89' ' ' GLY . 18.4 Cg_endo -75.04 139.33 24.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.584 1.834 . . . . 1.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.825 HG11 ' HB2' ' A' ' 91' ' ' PHE . 1.1 m -120.54 165.78 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 1.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.6 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.1 mt-10 -133.65 155.46 49.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 1.0 110.373 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.834 ' H ' HG22 ' A' ' 88' ' ' VAL . 10.3 t80 -61.33 136.88 58.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 110.971 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 83.98 -6.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 1.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 47.6 mm-40 -87.92 148.44 43.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 110.239 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 169.0 23.57 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 1.0 111.013 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.765 HD21 ' HB2' ' A' ' 85' ' ' SER . 28.0 mt -137.56 -81.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.836 HG22 HG23 ' A' ' 138' ' ' ILE . 24.4 t -117.62 160.93 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 1.0 109.377 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.837 ' CG2' HD21 ' A' ' 139' ' ' LEU . 39.4 t -115.75 122.18 68.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 1.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.537 HD11 HD11 ' A' ' 115' ' ' LEU . 2.2 mp -113.13 163.83 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.498 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 20.5 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.891 ' CG1' HG13 ' A' ' 154' ' ' VAL . 13.4 mt -90.2 117.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.822 HG21 HD23 ' A' ' 115' ' ' LEU . 27.0 t -66.76 118.21 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.553 1.158 . . . . 1.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -105.88 107.21 18.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 1.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.504 ' HB2' HD21 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -42.27 106.51 0.46 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 110.027 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 0.46 8.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 1.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.77 156.37 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 1.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.004 HG13 ' HA ' ' A' ' 147' ' ' GLU . 2.8 t -97.57 140.42 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.96 -117.16 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.417 1.073 . . . . 1.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 91' ' ' PHE . 54.4 m -131.56 168.28 17.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 1.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.802 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.7 t80 -137.37 136.85 38.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 1.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.566 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 67.4 m-85 -129.97 151.3 50.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 1.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.501 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 21.6 mmm-85 -97.48 -17.09 19.84 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.097 . . . . 1.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.931 HG22 ' HA ' ' A' ' 101' ' ' ALA . 41.3 p -134.46 155.45 79.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.474 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.2 Cg_endo -75.07 -28.31 9.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.59 1.837 . . . . 1.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.92 178.71 1.37 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 1.0 110.008 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -74.99 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.466 1.772 . . . . 1.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.66 50.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 1.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.71 158.32 42.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 1.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -67.1 171.7 5.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.13 . . . . 1.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.931 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.85 133.49 37.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 1.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.869 ' CD1' HG21 ' A' ' 114' ' ' THR . 25.6 m-85 -58.85 -38.18 78.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.474 HD12 HG11 ' A' ' 153' ' ' VAL . 15.8 pt -132.11 91.64 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.06 113.3 14.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.359 1.037 . . . . 1.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.416 ' HA ' HG21 ' A' ' 135' ' ' VAL . 55.0 t -40.1 116.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.795 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.09 11.12 22.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.453 1.096 . . . . 1.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.48 164.63 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.379 0.693 . . . . 1.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.485 ' C ' ' CD ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -112.34 153.95 26.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.434 HG21 HD11 ' A' ' 115' ' ' LEU . 23.2 m -129.76 131.11 66.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.414 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 19.0 t-20 -116.18 152.52 33.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.31 108.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 1.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.5 -17.57 8.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.161 . . . . 1.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.71 135.5 33.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 0.805 . . . . 1.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.869 HG21 ' CD1' ' A' ' 102' ' ' PHE . 88.8 m -56.26 174.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.822 HD23 HG21 ' A' ' 83' ' ' VAL . 3.3 tp -136.18 -46.9 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.596 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -178.59 -159.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 1.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.612 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.2 mt -138.59 155.7 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 1.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' THR . 37.2 t -141.18 124.36 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 1.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -83.24 128.54 34.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.17 155.08 26.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 1.0 109.253 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.4 mmm 47.13 42.47 13.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 1.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 121' ' ' MET . 9.6 ptpp? 48.82 45.73 22.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 1.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.64 144.45 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 1.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.3 mtm -74.55 134.25 42.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 1.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -129.7 103.1 6.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -68.39 155.71 39.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.7 mm -121.18 115.78 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 1.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -93.67 140.56 29.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 1.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.73 133.02 37.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.95 14.42 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -177.25 95.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.1 p -39.21 129.92 1.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.41 -172.19 26.22 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.423 1.077 . . . . 1.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.4 m -126.74 151.97 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 0.716 . . . . 1.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.795 HG11 ' H ' ' A' ' 106' ' ' GLY . 13.0 p -50.72 137.88 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.684 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -125.04 -41.49 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.65 132.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 1.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 1.061 HG23 HG22 ' A' ' 153' ' ' VAL . 1.3 mt -98.76 133.64 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.778 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -103.88 -46.13 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.595 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.1 p -71.73 163.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 1.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.421 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.5 OUTLIER -115.4 169.71 8.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 1.0 110.339 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.6 t -83.24 87.81 6.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 1.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 124.84 -5.52 8.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 1.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -80.25 149.82 69.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.429 0.723 . . . . 1.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 156.99 42.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.41 1.742 . . . . 1.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.802 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.8 m -138.83 162.23 28.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 1.004 ' HA ' HG13 ' A' ' 88' ' ' VAL . 9.3 pt-20 -137.89 155.79 48.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.823 ' H ' HG22 ' A' ' 88' ' ' VAL . 20.5 t80 -57.47 139.52 53.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 11.9 t0 81.26 -2.53 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 109.345 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 147' ' ' GLU . 7.2 tm-20 -92.74 137.03 24.33 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 1.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.2 Cg_endo -75.01 156.97 42.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.462 1.77 . . . . 1.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 64.1 mt -119.93 -80.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 1.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 1.061 HG22 HG23 ' A' ' 138' ' ' ILE . 40.4 t -117.24 137.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.891 HG13 ' CG1' ' A' ' 82' ' ' ILE . 6.5 t -93.83 122.76 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 1.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 155' ' ' ILE . 15.7 mm -114.91 163.95 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 109.19 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.505 ' CB ' ' CD ' ' A' ' 136' ' ' LYS . 3.2 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 1.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.8 t60 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.58 116.18 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 1.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.758 HG12 HD12 ' A' ' 152' ' ' LEU . 51.2 t -83.01 119.98 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 1.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -111.79 128.1 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 1.0 110.231 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.707 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -50.2 106.36 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.056 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.4 8.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 1.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.6 ptp -166.45 134.48 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 1.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 148' ' ' PHE . 25.8 t -62.3 138.04 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.75 -145.99 9.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 1.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 23.6 m -121.09 121.16 37.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 1.0 110.344 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.595 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 10.1 t80 -85.97 132.22 34.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 48.5 m-85 -128.84 142.91 50.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.069 . . . . 1.0 110.997 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.545 ' HD3' HG21 ' A' ' 138' ' ' ILE . 23.4 mmm-85 -92.8 -15.71 26.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 1.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.945 HG22 ' HA ' ' A' ' 101' ' ' ALA . 66.5 p -132.04 155.46 81.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 110.405 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -29.3 8.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 1.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -142.65 178.67 1.41 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 1.0 109.966 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.12 -48.31 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 1.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -95.71 43.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 1.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.51 148.74 49.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 1.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.34 169.61 2.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 1.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.945 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -87.48 133.28 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 1.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.936 ' CE1' HG21 ' A' ' 114' ' ' THR . 10.0 m-85 -52.5 -41.12 63.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 pp -141.69 108.59 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 1.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -87.53 126.64 35.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 1.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.627 HG22 HD11 ' A' ' 138' ' ' ILE . 56.1 t -40.29 116.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.666 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 115.03 9.1 13.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 1.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -115.42 168.08 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 1.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.81 175.58 5.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 1.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.789 HG21 HD21 ' A' ' 115' ' ' LEU . 27.3 m -150.74 142.64 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 1.0 109.245 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -125.93 148.16 49.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.42 108.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.59 2.85 12.93 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.115 . . . . 1.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.1 136.47 47.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 1.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.936 HG21 ' CE1' ' A' ' 102' ' ' PHE . 87.2 m -62.71 141.38 58.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.789 HD21 HG21 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -112.73 -32.92 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 1.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 30.0 p -179.98 -165.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 108.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.506 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.9 mt -138.92 155.76 27.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.504 ' CG2' HD11 ' A' ' 127' ' ' ILE . 59.4 t -135.48 122.98 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -96.44 122.22 39.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 1.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -165.36 171.77 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 15.5 ptm 42.54 45.93 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 1.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 41.61 51.64 3.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 1.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.15 155.38 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 1.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.6 mtm -83.47 144.58 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 1.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -139.42 93.06 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 1.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -64.15 157.17 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 1.0 110.259 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.504 HD11 ' CG2' ' A' ' 118' ' ' VAL . 4.5 mm -117.3 115.99 50.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 1.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.32 126.15 42.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 1.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.787 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -40.44 133.15 1.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 1.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.69 15.95 14.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 1.0 109.208 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 7.9 tttm -174.28 89.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' LYS . 82.8 p -39.4 138.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 1.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 178.12 -175.12 47.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 1.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.444 ' HB ' ' CG ' ' A' ' 156' ' ' GLU . 0.9 OUTLIER -113.4 160.27 18.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 0.781 . . . . 1.0 110.371 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.666 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.0 p -50.79 161.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 1.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.554 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -146.72 -48.11 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.61 133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.85 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -105.87 121.9 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.817 HD21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -91.09 -40.37 11.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 1.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 91' ' ' PHE . 9.4 p -87.05 139.42 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 1.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 144' ' ' GLN . 3.2 pt-20 -103.28 149.33 24.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 110.242 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.2 p -49.25 99.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 1.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 123.85 -35.56 3.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 1.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 141' ' ' GLU . 0.7 OUTLIER -52.64 134.9 45.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 1.0 110.364 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.4 Cg_endo -74.99 157.78 42.63 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.528 1.804 . . . . 1.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.0 m -136.95 157.89 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 1.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 1.9 tt0 -127.54 167.95 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 110.25 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.662 ' H ' HG22 ' A' ' 88' ' ' VAL . 21.3 t80 -65.22 128.41 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 84.31 3.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.476 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 57.4 mm-40 -89.03 151.15 46.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 1.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.634 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.95 161.56 38.68 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.486 1.782 . . . . 1.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.758 HD12 HG12 ' A' ' 83' ' ' VAL . 67.6 mt -129.84 -81.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.85 HG22 HG23 ' A' ' 138' ' ' ILE . 12.5 t -134.38 144.28 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 1.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.817 HG23 HD21 ' A' ' 139' ' ' LEU . 67.1 t -97.58 122.97 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -107.8 163.73 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 13.1 pt-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 1.0 110.26 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.611 ' CE1' HD12 ' A' ' 155' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.533 HG13 HG13 ' A' ' 154' ' ' VAL . 2.8 mp -102.49 116.33 45.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 1.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.625 HG12 HD12 ' A' ' 152' ' ' LEU . 21.9 t -73.73 118.39 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 1.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -105.81 123.74 48.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.816 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -43.29 102.5 0.28 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 1.0 109.951 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.5 8.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 1.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 mtp -163.02 126.36 2.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.856 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.9 t -59.98 139.22 19.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.37 -125.67 1.47 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.458 1.099 . . . . 1.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.437 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 87.4 m -126.76 167.42 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 1.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.769 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.9 t80 -139.95 137.68 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.513 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 57.7 m-85 -129.15 157.86 40.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 111.021 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -106.16 -13.65 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 1.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 1.014 HG22 ' HA ' ' A' ' 101' ' ' ALA . 43.5 p -135.39 155.67 78.43 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 1.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.05 20.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 1.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.2 OUTLIER -158.3 172.8 5.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 110.033 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.04 -32.95 4.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 1.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -113.79 23.18 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -101.84 158.8 15.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 1.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 173.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.014 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.51 133.08 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.704 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 16.1 m-85 -54.12 -39.64 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.785 HG21 HD23 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -136.44 117.37 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 1.0 109.386 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 1.4 mt-10 -91.24 110.92 22.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 1.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.444 ' HA ' HG21 ' A' ' 135' ' ' VAL . 96.3 t -40.3 116.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.556 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 102.96 29.81 5.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 1.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -120.86 171.09 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.77 . . . . 1.0 110.35 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.0 127.21 53.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 132' ' ' SER . 29.1 m -124.6 144.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.465 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 6.8 m120 -127.14 147.78 50.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.17 108.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 1.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.67 -15.62 5.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.412 1.07 . . . . 1.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.91 134.05 34.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 1.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.863 HG23 ' CD ' ' A' ' 126' ' ' GLN . 11.3 m -57.46 144.58 36.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 1.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 155' ' ' ILE . 2.7 mt -111.76 -30.43 7.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.481 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.3 p 176.47 -172.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 108.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.704 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 16.9 mm -126.96 159.47 36.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.492 ' CG2' HD11 ' A' ' 127' ' ' ILE . 2.9 t -142.58 128.56 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.097 . . . . 1.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.437 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.5 tt0 -92.18 140.99 29.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 1.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -138.23 -175.96 4.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.7 mmm -43.19 92.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 120' ' ' ALA . 2.9 mtmp? 40.15 48.51 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.3 ttp -157.12 124.43 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 1.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.3 ttm -88.35 136.91 32.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 117' ' ' ILE . 4.8 m120 -128.53 146.37 50.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.863 ' CD ' HG23 ' A' ' 114' ' ' THR . 0.3 OUTLIER -117.81 139.3 51.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.492 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.0 OUTLIER -104.04 117.6 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' ALA . 1.2 pm0 -102.47 126.34 49.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' GLU . . . -40.23 132.93 1.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 1.0 109.37 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.91 11.32 30.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 132' ' ' SER . 18.4 ttmt -176.49 106.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.138 . . . . 1.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 53.6 p -39.1 152.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 109.943 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.32 -173.27 40.94 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.532 1.145 . . . . 1.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.747 ' O ' HG12 ' A' ' 135' ' ' VAL . 3.5 m -133.56 59.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 1.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.747 HG12 ' O ' ' A' ' 134' ' ' THR . 6.7 p 50.67 177.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.68 ' H ' HG22 ' A' ' 135' ' ' VAL . 1.0 OUTLIER -165.3 -50.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 109.364 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.61 136.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.741 HG23 HG22 ' A' ' 153' ' ' VAL . 1.7 mm -98.97 138.76 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.9 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -106.23 -47.68 3.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 1.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 91' ' ' PHE . 7.5 p -72.41 168.41 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.534 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.3 tp10 -117.98 160.96 20.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 1.0 110.244 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.4 t -74.63 102.81 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.513 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 105.98 -5.77 39.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 1.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.467 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -78.32 150.07 76.53 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 1.0 110.35 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -74.95 159.27 41.74 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.517 1.799 . . . . 1.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.769 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.2 m -139.37 157.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 1.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.619 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.8 mt-10 -130.34 155.51 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.856 ' H ' HG22 ' A' ' 88' ' ' VAL . 14.5 t80 -62.45 135.6 57.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 9.2 t70 83.63 -6.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.465 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 29.9 mm-40 -87.6 149.24 45.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.9 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.99 160.43 40.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.422 1.748 . . . . 1.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.816 HD11 ' HA ' ' A' ' 85' ' ' SER . 82.4 mt -132.51 -81.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.573 1.17 . . . . 1.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.741 HG22 HG23 ' A' ' 138' ' ' ILE . 55.5 t -119.6 150.61 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.876 HG23 HD21 ' A' ' 139' ' ' LEU . 43.6 t -116.59 131.3 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 109.361 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 1.07 HD11 HD21 ' A' ' 115' ' ' LEU . 24.9 mt -124.97 164.24 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.3 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 t60 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.785 ' CD1' HG13 ' A' ' 154' ' ' VAL . 6.2 mm -132.15 115.79 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 1.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 155' ' ' ILE . 57.8 t -81.14 116.42 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 1.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -105.11 125.09 50.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.426 1.078 . . . . 1.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.838 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -45.46 105.88 0.5 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 1.0 110.05 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.6 8.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 1.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.05 132.84 5.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.824 HG22 ' H ' ' A' ' 148' ' ' PHE . 2.9 t -66.5 140.3 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.29 -122.69 1.18 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 1.0 111.065 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 91' ' ' PHE . 98.7 m -129.14 169.0 15.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 1.0 110.385 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.791 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.7 t80 -139.61 135.62 33.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 69.0 m-85 -128.42 159.73 34.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.463 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 5.0 mmm-85 -109.2 -14.23 14.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 1.0 110.333 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.971 HG22 ' HA ' ' A' ' 101' ' ' ALA . 63.2 p -132.99 155.42 81.16 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 1.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -28.69 8.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.577 1.83 . . . . 1.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -144.58 178.65 1.38 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 1.0 110.018 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.96 -50.86 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.459 1.768 . . . . 1.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -93.92 45.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.86 165.8 18.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 1.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -75.79 169.05 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 1.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.971 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.87 133.13 34.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 1.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.925 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.4 m-85 -54.83 -39.95 69.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.446 1.091 . . . . 1.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 103' ' ' ILE . 5.8 tt -140.31 100.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.503 ' HG2' ' HB3' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -85.79 125.91 33.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.413 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.4 t -39.7 116.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.7 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 108.69 22.87 6.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.59 1.181 . . . . 1.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.8 164.55 21.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 0.818 . . . . 1.0 110.271 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 109' ' ' VAL . 55.7 tttm -113.8 167.93 10.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 34.7 m -148.21 148.99 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 1.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.2 m-80 -127.45 146.65 50.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.45 1.094 . . . . 1.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.479 HG22 ' C ' ' A' ' 130' ' ' ASP . 3.1 t -39.91 108.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 1.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.25 -16.18 7.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.424 1.078 . . . . 1.0 111.048 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.54 138.11 31.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 0.795 . . . . 1.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.925 HG21 ' CE1' ' A' ' 102' ' ' PHE . 90.5 m -58.61 141.69 51.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 1.0 110.442 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.818 HD21 ' CG2' ' A' ' 127' ' ' ILE . 0.4 OUTLIER -112.64 -32.64 6.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 115' ' ' LEU . 19.8 p 176.82 -170.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 1.0 108.357 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.47 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.5 mt -133.3 156.82 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.4 t -137.99 133.55 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.4 tt0 -95.25 131.09 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 1.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -169.85 167.09 9.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 1.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.2 ptp 42.51 45.47 3.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 1.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.36 51.68 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.47 154.55 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 111.028 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 mtt -78.0 144.78 36.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 110.964 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.4 97.19 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -69.72 155.12 41.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.818 ' CG2' HD21 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -117.69 117.67 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 1.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -93.68 114.59 26.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.04 133.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.479 ' C ' HG22 ' A' ' 111' ' ' VAL . 31.8 t70 -122.31 11.77 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 132' ' ' SER . 2.2 tttt -154.54 83.11 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 1.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.476 ' H ' HG23 ' A' ' 111' ' ' VAL . 56.0 p -38.84 137.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.94 -175.3 46.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 1.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.9 m -114.64 169.34 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 1.0 110.385 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.7 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.1 p -62.19 159.29 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -145.48 -47.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.365 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 169.91 132.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 1.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.834 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -101.24 132.0 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.862 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -100.17 -46.63 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 91' ' ' PHE . 7.1 p -76.88 153.39 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.17 167.9 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 1.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.0 t -79.87 88.56 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.393 1.058 . . . . 1.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.81 -5.49 7.94 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.575 1.172 . . . . 1.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.469 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -80.43 150.94 71.42 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.505 0.768 . . . . 1.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.4 Cg_endo -75.01 158.44 42.18 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 1.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.791 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.2 m -138.44 158.17 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 1.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.692 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.3 mt-10 -131.91 150.51 52.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.824 ' H ' HG22 ' A' ' 88' ' ' VAL . 8.4 t80 -61.41 136.77 58.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 1.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.8 t70 84.77 -7.65 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.458 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.9 mt-10 -91.43 149.24 39.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.638 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.94 163.21 35.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.539 1.81 . . . . 1.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.838 HD11 ' HA ' ' A' ' 85' ' ' SER . 69.0 mt -132.1 -80.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.834 HG22 HG23 ' A' ' 138' ' ' ILE . 23.1 t -120.22 149.01 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.862 ' CG2' HD21 ' A' ' 139' ' ' LEU . 19.1 t -105.23 119.78 54.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.6 mp -103.1 163.93 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 1.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.897 HG13 HG13 ' A' ' 154' ' ' VAL . 4.3 mp -90.98 120.89 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 1.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG12 HD12 ' A' ' 152' ' ' LEU . 97.6 t -74.66 121.83 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -100.8 115.64 30.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 1.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.856 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -40.6 100.7 0.22 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 1.0 110.03 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 1.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.9 ttt -150.8 123.98 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 1.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.963 HG13 ' HA ' ' A' ' 147' ' ' GLU . 3.4 t -70.75 140.05 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.62 -118.59 0.87 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 69.4 m -124.84 167.84 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 1.0 110.389 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.696 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.9 t80 -140.9 135.7 31.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 1.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.516 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.4 m-85 -127.52 155.28 44.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -103.04 -13.45 16.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 1.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.95 HG22 ' HA ' ' A' ' 101' ' ' ALA . 73.0 p -130.22 155.54 80.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 1.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.442 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -75.02 -23.21 13.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 1.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.479 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -149.14 176.87 2.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.995 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 1.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.55 35.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.23 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.35 146.79 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 1.0 109.354 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -63.91 167.44 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 1.0 109.28 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.95 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -77.4 132.89 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.961 ' CE1' HG21 ' A' ' 114' ' ' THR . 7.4 m-85 -47.87 -42.91 27.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.181 . . . . 1.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' A' ' 102' ' ' PHE . 3.1 mp -138.21 120.51 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 9.9 tp10 -86.57 117.22 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 1.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.706 HG22 HD11 ' A' ' 138' ' ' ILE . 77.0 t -39.74 116.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.79 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 116.4 5.35 16.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -112.62 171.11 7.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 1.0 110.287 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.43 165.36 12.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 1.0 109.256 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.1 137.87 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.447 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 2.3 t-20 -119.6 150.88 39.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.27 109.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.4 -19.82 6.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 1.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.05 136.01 33.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 0.798 . . . . 1.0 109.369 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.961 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.8 m -60.95 155.27 20.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 1.0 110.419 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.553 HD13 ' HB2' ' A' ' 129' ' ' ALA . 2.9 tp -120.02 -41.12 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.499 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 176.97 -173.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.462 HG12 ' CG ' ' A' ' 126' ' ' GLN . 27.2 mt -128.2 158.28 40.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 1.0 109.234 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.506 ' CG2' HD11 ' A' ' 127' ' ' ILE . 25.5 t -139.62 132.27 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.0 tt0 -93.89 130.7 39.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 1.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.96 150.09 27.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 1.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 53.51 19.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.39 41.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -151.86 146.49 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 1.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 mtm -81.92 131.94 35.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.972 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -132.01 110.03 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.462 ' CG ' HG12 ' A' ' 117' ' ' ILE . 12.4 mt-30 -73.54 154.27 39.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 1.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.506 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.8 mt -121.22 116.56 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -93.11 129.12 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 1.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.553 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -48.37 133.08 16.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 1.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -121.39 17.78 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 1.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -168.61 88.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.447 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 83.0 p -39.18 137.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -166.24 -172.14 33.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.092 . . . . 1.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.462 HG22 ' HG2' ' A' ' 156' ' ' GLU . 0.9 OUTLIER -126.63 141.42 51.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 1.0 110.396 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.79 HG11 ' H ' ' A' ' 106' ' ' GLY . 13.3 p -40.14 159.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 1.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.59 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 2.4 tptp -149.65 -45.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.452 1.095 . . . . 1.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.46 132.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.831 HG23 HG22 ' A' ' 153' ' ' VAL . 0.2 OUTLIER -102.2 125.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.917 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -92.29 -44.16 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 1.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.643 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.6 p -79.92 156.93 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -112.23 173.52 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 1.0 110.254 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.8 t -80.42 97.51 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 1.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.98 -5.6 23.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 1.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.99 150.28 80.91 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 1.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.5 Cg_endo -74.99 161.33 38.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 1.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.696 HG11 ' HB2' ' A' ' 91' ' ' PHE . 15.8 m -143.03 157.58 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.963 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -136.97 159.11 42.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 110.288 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.583 ' N ' HG22 ' A' ' 88' ' ' VAL . 16.8 t80 -60.85 136.92 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 111.057 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 82.69 -6.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.389 1.056 . . . . 1.0 109.351 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 3.3 tm-20 -88.32 138.8 30.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.615 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.93 155.2 43.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.434 1.755 . . . . 1.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.856 HD11 ' HA ' ' A' ' 85' ' ' SER . 59.8 mt -117.94 -81.38 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.831 HG22 HG23 ' A' ' 138' ' ' ILE . 21.1 t -119.74 138.25 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 1.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.917 HG23 HD21 ' A' ' 139' ' ' LEU . 36.1 t -96.59 129.24 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 1.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 135' ' ' VAL . 9.2 mm -118.7 163.85 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.641 -0.503 . . . . 1.0 109.641 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.53 HG13 HG13 ' A' ' 154' ' ' VAL . 1.8 mp -96.09 124.61 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 1.0 109.278 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 152' ' ' LEU . 40.0 t -83.07 135.06 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.617 1.198 . . . . 1.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.85 126.52 47.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 1.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.918 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -39.1 99.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 110.021 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 1.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.16 112.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.817 HG22 ' HA ' ' A' ' 147' ' ' GLU . 46.5 t -50.05 137.92 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 1.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.21 -134.02 3.22 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.524 1.14 . . . . 1.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 11.5 m -125.34 122.07 35.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 0.747 . . . . 1.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.4 t80 -88.98 130.66 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 1.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 52.3 m-85 -126.7 144.08 51.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.593 ' HD3' HG21 ' A' ' 138' ' ' ILE . 28.0 mmm-85 -91.81 -17.76 24.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 1.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.949 HG22 ' HA ' ' A' ' 101' ' ' ALA . 73.4 p -132.64 155.44 81.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.54 13.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 1.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.32 170.74 7.2 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.86 13.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.428 1.751 . . . . 1.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -113.88 32.5 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 1.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.7 143.8 49.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 1.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -51.22 -179.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.949 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -100.43 133.12 45.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.922 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.0 m-85 -55.16 -39.84 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 1.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.538 HD13 ' CG1' ' A' ' 109' ' ' VAL . 1.9 tp -137.91 106.93 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 2.4 tt0 -90.99 123.16 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 1.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.674 HG22 HD11 ' A' ' 138' ' ' ILE . 60.7 t -40.11 116.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.709 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.57 23.85 6.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 1.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.85 165.08 22.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 1.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -108.38 175.22 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 1.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.538 ' CG1' HD13 ' A' ' 103' ' ' ILE . 15.5 m -150.45 140.04 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -118.06 142.75 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 1.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.56 109.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 1.0 109.26 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.47 4.8 10.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 1.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.42 135.6 47.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 1.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.922 HG21 ' CE1' ' A' ' 102' ' ' PHE . 85.8 m -57.81 141.33 49.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.076 HD21 HG22 ' A' ' 127' ' ' ILE . 3.9 pp -113.46 -32.54 6.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.67 -168.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 1.0 108.322 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.779 HG23 ' O ' ' A' ' 125' ' ' ASN . 4.9 mt -135.96 145.62 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 1.0 109.323 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.4 120.72 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -98.44 126.12 43.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 1.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.62 175.96 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 1.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.5 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 23.0 ptm 42.45 46.41 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 41.95 51.5 4.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 24.9 tpp -171.16 144.97 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.6 131.6 37.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 1.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.779 ' O ' HG23 ' A' ' 117' ' ' ILE . 30.1 m-80 -125.16 151.3 45.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 1.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -107.52 153.41 22.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 1.076 HG22 HD21 ' A' ' 115' ' ' LEU . 4.8 mm -114.89 116.53 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -95.65 122.25 38.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 1.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.45 133.16 1.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 1.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.463 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 47.4 t0 -117.14 14.53 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 1.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 130' ' ' ASP . 3.1 mptt -163.33 83.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 27.2 p -39.34 144.77 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 1.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 169.31 -173.1 43.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 1.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.497 HG22 ' N ' ' A' ' 135' ' ' VAL . 4.0 m -108.84 170.41 8.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 1.0 110.411 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.709 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.0 p -61.09 152.41 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.482 1.113 . . . . 1.0 109.369 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.642 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -133.99 -47.52 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 1.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.56 133.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.872 HG23 HG22 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -102.58 130.71 52.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 1.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -101.27 -45.28 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 1.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.4 p -75.29 140.04 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -100.99 134.12 44.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 110.297 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.9 p -44.43 95.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 1.0 109.963 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 131.6 -34.34 2.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 1.0 110.99 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.95 145.86 78.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 1.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.31 27.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 1.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.57 HG11 ' HB2' ' A' ' 91' ' ' PHE . 16.5 m -148.77 163.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.817 ' HA ' HG22 ' A' ' 88' ' ' VAL . 1.2 pt-20 -146.5 168.75 20.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 2.8 t80 -62.81 135.6 57.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.32 -7.69 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 1.0 109.343 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 151' ' ' PRO . 0.0 OUTLIER -86.41 143.39 36.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 1.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.636 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.95 158.46 42.36 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.57 1.826 . . . . 1.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.918 HD11 ' HA ' ' A' ' 85' ' ' SER . 92.8 mt -126.01 -80.27 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 1.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.872 HG22 HG23 ' A' ' 138' ' ' ILE . 6.8 t -133.83 139.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.204 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.633 HG23 HD21 ' A' ' 139' ' ' LEU . 17.4 t -91.56 123.99 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -114.92 161.35 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 1.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 14.4 tt0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 1.0 110.283 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.764 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.599 HG13 HG13 ' A' ' 154' ' ' VAL . 3.8 mp -85.05 117.0 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.764 HG22 ' CE1' ' A' ' 81' ' ' HIS . 8.0 t -66.77 117.17 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 1.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.07 118.84 33.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 1.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.73 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -44.68 103.28 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 110.021 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 0.51 8.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.785 . . . . 1.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.18 139.34 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 1.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.8 t -74.83 142.17 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 1.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.26 -121.48 1.07 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.103 . . . . 1.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 91' ' ' PHE . 52.8 m -130.92 170.85 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 1.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.756 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.3 t80 -138.21 144.31 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.3 m-85 -138.73 158.85 43.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 1.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.781 ' HD2' HG21 ' A' ' 138' ' ' ILE . 5.0 mtp180 -114.32 -16.98 11.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 1.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.996 HG22 ' HA ' ' A' ' 101' ' ' ALA . 82.5 p -133.57 155.23 80.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 110.418 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.72 19.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.469 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -152.54 176.1 2.58 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 1.0 110.023 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 1.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.38 26.26 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 1.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.6 158.68 16.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.324 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -64.47 167.2 7.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.996 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -95.52 135.21 37.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 1.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.917 ' CE1' HG21 ' A' ' 114' ' ' THR . 9.1 m-85 -53.85 -41.27 67.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 1.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.686 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -132.88 118.59 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.89 116.3 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -40.3 116.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 1.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.471 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 107.99 23.66 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 1.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.25 166.05 20.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 0.778 . . . . 1.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 7.3 ttpt -109.16 167.13 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.636 HG21 HD11 ' A' ' 115' ' ' LEU . 15.4 m -145.17 147.8 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.607 1.192 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.3 m-80 -123.04 141.79 51.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 1.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.36 108.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.87 -7.29 6.89 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.451 1.095 . . . . 1.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.87 138.52 40.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.797 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.917 HG21 ' CE1' ' A' ' 102' ' ' PHE . 86.6 m -59.1 141.73 53.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.636 HD11 HG21 ' A' ' 109' ' ' VAL . 4.3 tp -113.48 -32.22 6.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 1.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.7 p -179.71 -162.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 108.312 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.514 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mt -143.85 158.7 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.516 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.2 t -144.4 129.27 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -87.25 138.03 31.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 1.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -161.11 148.15 15.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 89.6 mtp 54.43 19.9 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 1.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 38.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.9 tpp -152.88 136.98 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 1.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -70.07 134.41 48.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 1.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -131.51 104.89 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.726 ' CG ' HG23 ' A' ' 114' ' ' THR . 15.6 tt0 -67.55 148.02 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.516 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.9 mt -116.74 116.44 52.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -90.82 137.84 32.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 1.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.12 133.16 19.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.13 14.24 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.229 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -179.23 99.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.7 p -39.29 146.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 110.012 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.62 -173.06 45.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 1.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 135' ' ' VAL . 31.5 m -115.85 171.65 7.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 1.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.511 ' N ' HG22 ' A' ' 134' ' ' THR . 9.4 p -60.43 164.85 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.367 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.735 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -147.83 -50.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.563 1.164 . . . . 1.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.17 140.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 1.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.988 HD13 HG13 ' A' ' 153' ' ' VAL . 4.4 mm -106.07 115.75 48.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 1.038 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -86.92 -44.91 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 1.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.635 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.7 p -88.75 138.64 18.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -89.05 176.49 6.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 1.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.5 t -83.56 87.73 7.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 1.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 130.78 -5.39 5.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.406 1.066 . . . . 1.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -80.01 149.82 70.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 1.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.5 Cg_endo -74.94 161.33 39.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 1.0 111.048 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.756 HG11 ' HB2' ' A' ' 91' ' ' PHE . 11.7 m -139.23 156.96 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.59 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -133.52 152.61 51.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 110.265 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.851 ' H ' HG22 ' A' ' 88' ' ' VAL . 16.0 t80 -61.99 135.86 57.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 1.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.1 t70 82.94 -5.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 28.0 mm-40 -90.73 150.23 41.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.692 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.01 151.79 39.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.56 1.821 . . . . 1.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 85' ' ' SER . 70.4 mt -119.04 -81.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.988 HG13 HD13 ' A' ' 138' ' ' ILE . 59.5 t -123.84 153.61 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 1.038 HG23 HD21 ' A' ' 139' ' ' LEU . 36.4 t -107.4 121.91 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -111.92 164.23 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 1.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.506 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.6 tt0 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.407 ' NE2' HG22 ' A' ' 83' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.603 -0.518 . . . . 1.0 109.603 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.967 HD13 HG13 ' A' ' 154' ' ' VAL . 9.5 mm -88.87 122.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.407 HG22 ' NE2' ' A' ' 81' ' ' HIS . 48.9 t -88.2 116.35 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 1.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -102.73 115.87 31.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 1.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.428 ' CB ' HD21 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -40.38 107.16 0.45 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 110.024 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.53 8.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 1.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 ptp -159.44 145.1 15.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 1.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.893 HG13 ' HA ' ' A' ' 147' ' ' GLU . 2.7 t -81.47 140.46 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.15 -125.2 1.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.435 1.084 . . . . 1.0 111.003 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.572 ' O ' HG13 ' A' ' 118' ' ' VAL . 51.7 m -124.66 167.06 15.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 1.0 110.341 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.743 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.7 t80 -140.58 128.03 21.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 1.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 79.3 m-85 -120.03 168.55 11.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.791 ' NH1' HD12 ' A' ' 138' ' ' ILE . 7.9 mtm180 -114.0 -13.73 12.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 1.0 110.233 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.967 HG22 ' HA ' ' A' ' 101' ' ' ALA . 74.5 p -133.47 155.46 80.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 110.399 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.21 15.03 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.428 1.752 . . . . 1.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.485 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -150.0 177.58 1.79 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 1.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -98.12 36.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 1.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.45 156.77 26.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -65.51 166.84 9.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.967 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.38 133.23 34.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 1.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.847 ' CE1' HG21 ' A' ' 114' ' ' THR . 19.3 m-85 -56.34 -39.1 72.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 1.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.15 111.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.49 129.55 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 1.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.417 ' HA ' HG21 ' A' ' 135' ' ' VAL . 51.8 t -40.36 116.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.636 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 110.81 24.83 5.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.132 . . . . 1.0 111.083 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -129.79 167.47 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 0.751 . . . . 1.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 172.94 6.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 1.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.682 HG21 HD11 ' A' ' 115' ' ' LEU . 15.8 m -149.17 143.2 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 1.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -121.61 145.62 47.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.27 108.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 1.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.19 25.17 4.22 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 1.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.58 135.0 48.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 1.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.847 HG21 ' CE1' ' A' ' 102' ' ' PHE . 60.1 m -58.47 142.31 49.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 1.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 109' ' ' VAL . 2.8 tp -112.32 -32.29 6.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.445 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.5 p 175.95 -173.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.555 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.6 mt -126.13 161.2 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 1.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 90' ' ' THR . 9.9 t -147.82 130.66 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.417 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.7 tt0 -87.22 126.62 34.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -155.75 149.25 24.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.6 mmm 47.12 42.31 12.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 121' ' ' MET . 17.3 ptmt 48.99 45.87 22.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.231 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.65 139.6 10.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 1.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.6 mmm -67.18 137.17 56.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 1.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -132.52 105.66 7.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.814 ' CG ' HG23 ' A' ' 114' ' ' THR . 15.3 tt0 -75.59 147.42 39.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 1.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.499 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.4 mt -111.04 116.22 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -92.6 125.24 37.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.61 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.45 133.01 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.02 14.62 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 1.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 8.7 tttt -173.72 92.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 1.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' LYS . 70.4 p -39.23 142.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 1.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 173.76 -173.21 45.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.578 1.173 . . . . 1.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -116.15 167.31 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 1.0 110.44 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.636 HG11 ' H ' ' A' ' 106' ' ' GLY . 11.8 p -52.83 162.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 1.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -149.34 -48.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 1.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.67 133.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.948 HG23 HG22 ' A' ' 153' ' ' VAL . 1.8 mt -105.04 115.65 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 1.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.936 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -81.69 -45.24 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 1.0 109.362 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.654 HG13 ' CD1' ' A' ' 91' ' ' PHE . 7.9 p -90.83 139.14 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.458 ' HG2' ' CG ' ' A' ' 144' ' ' GLN . 9.6 pt-20 -94.22 173.91 7.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.86 97.95 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 1.0 109.989 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.1 -36.73 2.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 1.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.458 ' CG ' ' HG2' ' A' ' 141' ' ' GLU . 2.9 mt-30 -48.92 151.2 2.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.583 0.814 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -75.03 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 1.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.743 HG11 ' HB2' ' A' ' 91' ' ' PHE . 22.5 m -150.45 157.26 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.06 . . . . 1.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.893 ' HA ' HG13 ' A' ' 88' ' ' VAL . 44.2 tt0 -139.47 149.38 43.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 1.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.876 ' H ' HG22 ' A' ' 88' ' ' VAL . 13.1 t80 -60.23 138.49 57.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 1.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.5 t70 83.84 -6.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.409 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.2 mt-10 -95.06 147.35 32.89 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 1.0 110.222 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.56 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.91 154.71 43.14 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.485 1.781 . . . . 1.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.616 HD13 ' HD2' ' A' ' 91' ' ' PHE . 19.7 mt -117.48 -71.78 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 109.219 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.948 HG22 HG23 ' A' ' 138' ' ' ILE . 43.6 t -134.82 144.56 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.967 HG13 HD13 ' A' ' 82' ' ' ILE . 22.0 t -100.94 122.09 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.9 mp -108.63 163.08 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.491 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.4 pt-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 1.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.773 ' CG1' HG13 ' A' ' 154' ' ' VAL . 96.7 mt -84.26 135.46 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.222 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.3 t -106.39 118.04 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 1.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' SER . 9.8 mtt180 -95.67 126.39 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 110.384 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.574 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -38.69 104.84 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.026 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 0.46 8.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.441 1.758 . . . . 1.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.28 126.63 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 1.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.901 HG22 ' H ' ' A' ' 148' ' ' PHE . 17.6 t -64.43 138.37 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.01 -124.04 1.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.573 1.17 . . . . 1.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 91' ' ' PHE . 41.4 m -128.68 167.47 17.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 0.776 . . . . 1.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.573 ' CD2' HG11 ' A' ' 140' ' ' VAL . 3.0 t80 -137.3 134.76 36.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.1 m-85 -126.2 155.74 41.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.417 ' CG ' ' HB2' ' A' ' 142' ' ' SER . 10.0 mmm180 -104.48 -13.72 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 1.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.925 HG22 ' HA ' ' A' ' 101' ' ' ALA . 38.8 p -134.71 155.96 79.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 1.0 110.446 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.4 11.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 1.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.461 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -144.88 175.64 2.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 109.97 179.923 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 -38.29 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -107.89 44.62 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 1.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.08 160.16 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 1.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 164.86 24.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.925 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -78.15 132.94 37.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.587 ' CE1' HG21 ' A' ' 114' ' ' THR . 12.1 m-85 -49.97 -40.85 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 1.0 111.059 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -134.93 127.69 48.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 1.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -97.86 112.46 24.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' GLU . 65.1 t -40.5 116.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 1.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.541 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 103.47 32.04 4.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 1.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -122.23 171.13 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 1.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -107.73 118.66 37.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 109.245 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 132' ' ' SER . 27.9 m -116.97 138.06 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 1.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 13.7 m120 -131.11 153.13 49.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.2 t -40.32 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.51 -23.45 4.26 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.503 1.127 . . . . 1.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.27 138.43 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 0.792 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.617 HG23 ' CG ' ' A' ' 126' ' ' GLN . 32.2 m -64.53 150.58 46.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.4 tp -115.09 -36.79 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.558 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.75 -169.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 108.314 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.747 HD13 ' HA ' ' A' ' 126' ' ' GLN . 16.1 mm -131.42 159.04 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.508 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.0 t -144.55 130.65 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -88.59 135.19 33.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 1.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -177.32 169.65 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.2 ptp 42.52 45.76 3.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.128 . . . . 1.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.1 mttt 41.47 51.78 3.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.83 161.56 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.8 mtm -79.16 142.07 36.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -133.81 99.75 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.747 ' HA ' HD13 ' A' ' 117' ' ' ILE . 0.2 OUTLIER -72.8 144.54 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.268 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.508 HD11 ' CG2' ' A' ' 118' ' ' VAL . 3.2 mt -108.34 115.86 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 1.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -90.72 134.94 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 1.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.45 133.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 1.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 131' ' ' LYS . 41.2 m-20 -110.33 14.87 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 130' ' ' ASP . 9.2 mttt 169.67 104.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 52.5 p -39.08 149.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 1.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.55 -173.17 40.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 1.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.746 ' O ' HG12 ' A' ' 135' ' ' VAL . 18.4 m -131.91 57.49 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 1.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.746 HG12 ' O ' ' A' ' 134' ' ' THR . 6.4 p 50.56 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.692 ' H ' HG22 ' A' ' 135' ' ' VAL . 6.9 tttt -165.94 -50.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.857 ' C ' HD13 ' A' ' 138' ' ' ILE . . . 173.58 137.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 1.048 HG23 HG22 ' A' ' 153' ' ' VAL . 1.0 OUTLIER -103.88 146.47 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 1.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.798 HD23 ' C ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -116.63 -49.14 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.573 HG11 ' CD2' ' A' ' 91' ' ' PHE . 12.1 p -66.03 169.66 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.519 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.1 OUTLIER -116.95 163.57 16.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 1.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.417 ' HB2' ' CG ' ' A' ' 93' ' ' ARG . 5.8 t -83.0 85.16 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 1.0 109.951 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.07 -5.54 7.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 1.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.46 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -82.76 151.23 64.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 1.0 110.311 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -75.03 167.42 27.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 1.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 145' ' ' PRO . 2.6 m -151.68 158.43 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.157 . . . . 1.0 109.224 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.548 ' HA ' HG13 ' A' ' 88' ' ' VAL . 6.5 pt-20 -143.14 132.97 23.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.901 ' H ' HG22 ' A' ' 88' ' ' VAL . 5.2 t80 -34.25 145.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 1.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 86.16 -12.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.269 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.44 ' HG3' ' CG ' ' A' ' 147' ' ' GLU . 7.9 mm-40 -95.13 142.86 25.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 1.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.775 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.1 Cg_endo -75.02 159.88 40.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 1.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' ' 85' ' ' SER . 76.5 mt -125.22 -81.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 1.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 1.048 HG22 HG23 ' A' ' 138' ' ' ILE . 94.4 t -123.51 137.7 55.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.773 HG13 ' CG1' ' A' ' 82' ' ' ILE . 3.0 t -101.95 135.43 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 156' ' ' GLU . 5.2 mp -113.6 166.07 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.561 1.163 . . . . 1.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.504 ' N ' HG22 ' A' ' 155' ' ' ILE . 9.0 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 1.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.459 ' CD2' ' HB2' ' A' ' 131' ' ' LYS . 3.5 t60 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.634 -0.506 . . . . 1.0 109.634 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.641 HG13 HG22 ' A' ' 154' ' ' VAL . 1.8 mp -100.58 120.21 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.592 HG21 HD23 ' A' ' 115' ' ' LEU . 88.3 t -68.97 129.03 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 1.0 109.383 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -115.57 116.63 28.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 1.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.488 ' HB3' HD21 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -42.64 102.05 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 110.015 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.48 8.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 1.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.39 132.82 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 147' ' ' GLU . 41.5 t -63.16 143.92 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.48 -138.59 5.39 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.534 1.146 . . . . 1.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 7.1 m -124.76 121.99 36.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 1.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.754 ' HD2' HD13 ' A' ' 152' ' ' LEU . 7.1 t80 -87.72 133.91 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 54.9 m-85 -131.48 143.19 50.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.787 ' HD2' HG21 ' A' ' 138' ' ' ILE . 0.4 OUTLIER -99.31 -19.53 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 110.259 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.948 HG22 ' HA ' ' A' ' 101' ' ' ALA . 74.8 p -132.94 153.42 80.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 110.428 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 -17.19 19.67 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 1.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.25 170.64 7.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 1.0 110.045 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -31.04 6.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 1.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.29 42.36 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.59 144.86 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.07 171.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 1.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.948 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -99.31 135.72 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.946 ' CE1' HG21 ' A' ' 114' ' ' THR . 4.2 m-85 -48.91 -43.86 39.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.7 pt -132.13 120.29 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' VAL . 13.9 mt-10 -88.68 112.17 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 1.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.647 ' CG2' HD11 ' A' ' 138' ' ' ILE . 91.9 t -39.92 115.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 1.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.569 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.55 27.22 5.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.0 111.018 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 134' ' ' THR . 6.3 tt0 -121.82 171.12 9.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 1.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -104.38 132.69 50.35 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.439 1.087 . . . . 1.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 132' ' ' SER . 17.0 m -130.71 132.49 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 9.5 t30 -115.01 147.44 40.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 1.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.64 HG23 ' HA ' ' A' ' 130' ' ' ASP . 2.6 p -40.17 109.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 134.28 -31.48 2.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 1.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.86 135.45 38.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 1.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.946 HG21 ' CE1' ' A' ' 102' ' ' PHE . 64.9 m -55.04 144.35 23.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.041 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.2 tp -114.35 -35.07 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.609 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 31.5 p -177.96 -163.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 108.284 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.487 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.0 mt -140.64 156.41 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.598 HG21 HD11 ' A' ' 127' ' ' ILE . 94.2 t -136.97 119.55 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -95.72 125.99 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 123' ' ' MET . . . -155.04 161.61 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mtm 53.42 19.12 1.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 1.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.07 41.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 1.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.444 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 4.8 ptt? -162.03 139.03 8.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 1.0 110.974 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.2 ptp -77.49 144.24 37.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -139.15 105.52 5.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -64.75 147.8 52.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.598 HD11 HG21 ' A' ' 118' ' ' VAL . 5.3 mt -114.94 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.19 132.68 34.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 1.0 110.338 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 1.041 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -52.18 133.04 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.64 ' HA ' HG23 ' A' ' 111' ' ' VAL . 8.6 m-20 -125.17 23.48 7.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 1.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 81' ' ' HIS . 6.3 mttp -169.61 81.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 68.9 p -39.2 147.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 1.0 109.926 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -178.56 -172.31 42.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 1.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.691 ' O ' HG12 ' A' ' 135' ' ' VAL . 1.8 p -128.18 60.21 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 0.807 . . . . 1.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.752 HG22 ' H ' ' A' ' 136' ' ' LYS . 4.4 p 49.03 -177.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 1.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.767 ' HB3' HG12 ' A' ' 154' ' ' VAL . 1.5 tptp -171.1 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.18 135.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 1.0 109.249 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.787 HG21 ' HD2' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -103.23 118.96 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.77 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -87.14 -46.18 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 1.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 91' ' ' PHE . 13.3 p -82.0 138.46 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 144' ' ' GLN . 6.7 pt-20 -100.35 137.56 38.6 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.466 1.104 . . . . 1.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.0 p -42.8 100.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.32 -36.19 2.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 1.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 22.3 tt0 -57.01 140.74 77.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 1.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.5 Cg_endo -74.99 163.58 35.08 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.527 1.804 . . . . 1.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.661 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.2 m -142.21 157.96 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.737 ' HA ' HG22 ' A' ' 88' ' ' VAL . 7.8 mp0 -126.95 168.89 13.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 1.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.545 ' H ' HG22 ' A' ' 88' ' ' VAL . 28.4 t80 -65.68 130.54 43.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.3 t70 82.24 -4.26 1.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 1.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.474 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 1.4 tt0 -80.27 146.3 62.01 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 1.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.581 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.89 151.45 40.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.397 1.735 . . . . 1.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.754 HD13 ' HD2' ' A' ' 91' ' ' PHE . 13.3 mt -119.05 -81.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 1.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.783 HG13 ' HA ' ' A' ' 138' ' ' ILE . 6.0 t -133.36 150.13 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' ' 136' ' ' LYS . 95.4 t -104.36 127.72 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.667 ' CD1' HD21 ' A' ' 115' ' ' LEU . 8.2 mt -119.82 149.37 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 1.0 109.282 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.466 ' HB3' ' CE ' ' A' ' 136' ' ' LYS . 17.5 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 1.0 110.256 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.537 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.105 ' CD1' HG13 ' A' ' 154' ' ' VAL . 11.8 mm -83.5 122.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.537 HG22 ' CE1' ' A' ' 81' ' ' HIS . 85.7 t -89.21 116.49 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 1.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -104.41 124.62 49.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 1.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.704 ' HA ' HD11 ' A' ' 152' ' ' LEU . 6.4 t -40.87 100.85 0.23 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 1.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.39 8.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.761 . . . . 1.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.98 111.32 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 1.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.649 HG22 ' H ' ' A' ' 148' ' ' PHE . 19.2 t -48.63 142.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.8 -135.77 4.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.424 1.077 . . . . 1.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 m -126.27 121.2 31.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 1.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.611 ' HB3' HG21 ' A' ' 140' ' ' VAL . 4.4 t80 -87.35 130.11 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 1.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 45.3 m-85 -124.6 146.96 48.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 1.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -96.6 -17.41 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.971 HG22 ' HA ' ' A' ' 101' ' ' ALA . 70.2 p -131.6 155.44 81.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -23.71 13.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.382 1.727 . . . . 1.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.31 170.81 7.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 109.945 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.01 10.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 1.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.33 45.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.69 147.43 52.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.087 . . . . 1.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -52.97 174.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 1.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.971 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.65 133.09 37.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.938 ' CE1' HG21 ' A' ' 114' ' ' THR . 8.3 m-85 -50.62 -41.85 55.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 1.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.674 HD11 HD12 ' A' ' 115' ' ' LEU . 13.5 mt -130.16 132.82 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 119.51 39.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.6 t -40.42 116.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 1.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.595 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 108.04 30.54 3.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.599 1.187 . . . . 1.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -136.63 158.5 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 1.0 110.289 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -100.95 166.41 10.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 1.0 109.318 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 103' ' ' ILE . 17.4 m -143.55 145.16 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 1.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -130.01 146.49 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 1.0 109.226 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.56 109.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.81 -10.89 6.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.449 1.093 . . . . 1.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.84 138.21 35.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 1.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.938 HG21 ' CE1' ' A' ' 102' ' ' PHE . 74.3 m -65.55 141.41 58.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 1.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.683 HD13 ' HB2' ' A' ' 129' ' ' ALA . 0.7 OUTLIER -112.66 -33.04 6.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 23.2 p 178.97 -170.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 108.299 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.483 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -133.71 156.79 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.662 HG21 HD11 ' A' ' 127' ' ' ILE . 74.1 t -136.29 117.29 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -93.64 126.65 38.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 1.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -150.68 144.07 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.0 109.37 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.3 mtt 48.71 46.78 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.061 . . . . 1.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 121' ' ' MET . 10.7 ptmt 49.77 40.79 21.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 35.8 tpp -146.1 128.15 15.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.465 ' HG2' ' CG2' ' A' ' 117' ' ' ILE . 34.4 ttm -74.9 138.4 42.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -137.29 96.34 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.65 158.34 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.662 HD11 HG21 ' A' ' 118' ' ' VAL . 5.5 mt -123.65 116.05 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -96.41 127.47 42.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.364 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.683 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.42 133.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.169 . . . . 1.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.12 15.75 16.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 1.0 109.234 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -175.0 95.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 1.0 109.32 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.3 p -39.39 150.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.522 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 169.84 -179.41 42.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 1.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.4 p -106.42 -174.31 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 1.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.595 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.3 p -83.23 139.8 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 109.225 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.683 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -120.46 -44.87 2.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.693 ' C ' HD13 ' A' ' 138' ' ' ILE . . . 164.04 139.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.943 HD12 HG13 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -103.84 132.07 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 1.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.912 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -103.15 -40.65 6.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 1.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 91' ' ' PHE . 12.0 p -78.33 157.66 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.25 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.81 151.11 29.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.546 1.154 . . . . 1.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 87.7 p -64.43 83.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 133.57 -12.86 4.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.483 1.115 . . . . 1.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 147.27 88.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 1.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.427 ' C ' HG13 ' A' ' 146' ' ' VAL . 18.4 Cg_endo -74.98 163.69 34.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 1.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.4 m -152.47 163.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.606 ' HA ' HG22 ' A' ' 88' ' ' VAL . 11.6 pt-20 -146.72 173.81 12.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 1.0 110.346 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.649 ' H ' HG22 ' A' ' 88' ' ' VAL . 3.6 t80 -61.88 135.16 57.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.118 . . . . 1.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.94 -10.0 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 13.6 tp10 -83.64 136.49 42.2 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.758 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.0 Cg_endo -75.06 152.14 40.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 1.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 85' ' ' SER . 80.5 mt -119.04 -79.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.943 HG13 HD12 ' A' ' 138' ' ' ILE . 2.9 t -122.54 142.59 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 1.105 HG13 ' CD1' ' A' ' 82' ' ' ILE . 24.3 t -100.79 115.48 42.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 1.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -108.5 163.9 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 1.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.505 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.8 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 1.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.583 -0.525 . . . . 1.0 109.583 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.859 HG13 HG13 ' A' ' 154' ' ' VAL . 2.0 mp -85.41 118.08 31.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.637 1.211 . . . . 1.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.925 HG21 HD13 ' A' ' 115' ' ' LEU . 40.0 t -67.72 122.21 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -116.23 118.72 33.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.445 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -50.56 106.53 0.65 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 1.0 110.064 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 0.58 8.7 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 1.0 111.015 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.01 120.16 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' ' 147' ' ' GLU . 18.1 t -45.93 151.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 160.53 -128.96 2.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 1.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 143' ' ' GLY . 56.7 m -142.96 120.96 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.414 0.714 . . . . 1.0 110.453 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.619 ' HB3' HG21 ' A' ' 140' ' ' VAL . 2.6 t80 -86.01 138.34 32.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 29.3 m-85 -134.6 149.31 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 1.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.53 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 13.9 mmm-85 -95.67 -14.06 23.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 1.0 110.228 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.958 HG22 ' HA ' ' A' ' 101' ' ' ALA . 40.4 p -135.39 155.47 78.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 1.0 110.369 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -22.77 14.61 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.467 1.772 . . . . 1.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -145.31 174.85 3.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.017 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.0 -32.68 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 1.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.63 51.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.52 148.26 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 1.0 109.332 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 1.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.958 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -100.27 137.82 38.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.924 ' CE1' HG21 ' A' ' 114' ' ' THR . 22.1 m-85 -61.66 -38.89 89.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 1.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.621 HD11 HG11 ' A' ' 109' ' ' VAL . 17.6 mt -140.47 133.21 32.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.2 133.78 54.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.12 116.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 1.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.712 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 99.51 48.71 1.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -149.71 155.2 39.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 1.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 109' ' ' VAL . 7.8 tttm -107.16 167.95 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.621 HG11 HD11 ' A' ' 103' ' ' ILE . 18.0 m -147.23 144.7 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.94 142.59 47.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.669 HG23 ' H ' ' A' ' 132' ' ' SER . 3.2 t -40.28 108.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.48 -8.95 8.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 1.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 133.26 37.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 1.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.924 HG21 ' CE1' ' A' ' 102' ' ' PHE . 96.6 m -53.96 141.64 27.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 110.373 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.021 HD21 HG22 ' A' ' 127' ' ' ILE . 2.5 pp -112.89 -32.65 6.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 109.386 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.666 ' O ' HD13 ' A' ' 117' ' ' ILE . 16.9 p -178.76 -164.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 1.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.754 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.3 mm -135.97 161.32 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 1.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.543 HG21 HD11 ' A' ' 127' ' ' ILE . 4.6 t -143.54 119.31 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 1.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.71 140.36 36.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 1.0 110.235 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -164.51 143.86 7.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 1.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.2 mtm 54.73 24.22 5.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.175 . . . . 1.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.4 37.33 1.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 1.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.5 ttm -136.96 145.26 43.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.392 1.057 . . . . 1.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.2 133.62 34.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -134.88 98.77 4.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 1.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.627 ' HG3' HD12 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -71.06 151.34 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 1.021 HG22 HD21 ' A' ' 115' ' ' LEU . 3.0 mt -122.05 115.89 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 1.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -96.6 128.83 43.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 1.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.35 133.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.23 14.99 23.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -174.01 95.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.669 ' H ' HG23 ' A' ' 111' ' ' VAL . 39.9 p -39.23 146.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 1.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 173.36 -172.86 45.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.405 1.066 . . . . 1.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.679 HG22 ' H ' ' A' ' 135' ' ' VAL . 10.7 m -113.78 -177.01 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 0.717 . . . . 1.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.712 HG11 ' H ' ' A' ' 106' ' ' GLY . 12.5 p -72.52 142.22 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 1.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.687 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -124.44 -45.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.14 132.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 1.0 109.337 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.898 HG23 HG22 ' A' ' 153' ' ' VAL . 0.7 OUTLIER -102.29 132.06 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 1.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.27 -42.19 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 91' ' ' PHE . 11.5 p -72.61 137.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 1.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.3 OUTLIER -102.04 131.17 48.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 1.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 60.5 p -44.3 95.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 1.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.621 ' O ' HG23 ' A' ' 90' ' ' THR . . . 133.11 -30.74 3.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 1.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.46 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 8.6 tt0 -57.77 140.87 80.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.3 Cg_endo -75.06 140.53 25.41 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 1.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.752 ' O ' HG13 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -101.84 162.77 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.755 ' HA ' HG22 ' A' ' 88' ' ' VAL . 11.4 mm-40 -143.39 167.84 21.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 1.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 9.0 t80 -61.17 138.02 58.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 1.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 56.67 17.66 3.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 1.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 7.5 tm-20 -90.37 137.02 27.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 1.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.401 ' O ' ' OE1' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -74.97 156.35 43.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 1.0 111.035 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.729 HD12 HG12 ' A' ' 83' ' ' VAL . 60.3 mt -130.35 -81.78 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 1.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.898 HG22 HG23 ' A' ' 138' ' ' ILE . 21.1 t -119.49 154.13 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 1.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.859 HG13 HG13 ' A' ' 82' ' ' ILE . 25.0 t -109.74 118.36 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.8 mp -110.28 163.26 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.6 pt-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 1.0 110.244 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.538 ' CE1' HG23 ' A' ' 83' ' ' VAL . 1.9 p80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.507 HG13 HG13 ' A' ' 154' ' ' VAL . 3.8 mp -94.61 116.4 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.744 HG12 HD12 ' A' ' 152' ' ' LEU . 6.7 t -75.9 119.31 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 1.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.78 127.15 51.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 1.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.892 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -46.59 106.17 0.55 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 1.0 109.993 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 0.71 8.62 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 1.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -162.87 134.03 4.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 1.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.81 HG22 ' H ' ' A' ' 148' ' ' PHE . 13.2 t -67.18 138.53 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.52 -124.37 1.3 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 1.0 110.998 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 143' ' ' GLY . 88.0 m -127.88 164.29 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 1.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.75 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.3 t80 -137.54 122.96 19.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 1.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 61.4 m-85 -116.08 162.8 16.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 1.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -108.71 -13.8 14.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' THR . . . . . 1.007 HG22 ' HA ' ' A' ' 101' ' ' ALA . 38.3 p -136.69 155.48 76.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 1.0 110.391 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -18.16 18.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 1.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -153.74 176.15 2.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.965 179.941 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 -36.48 2.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 1.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.78 23.65 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 1.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -101.52 158.59 15.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.601 1.188 . . . . 1.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -63.56 168.95 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 1.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.007 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.41 133.34 36.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.096 . . . . 1.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.818 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 28.2 m-85 -59.64 -37.74 79.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 1.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.837 HG21 HD13 ' A' ' 115' ' ' LEU . 1.7 pp -143.59 100.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.84 120.24 24.93 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.476 HG22 HD11 ' A' ' 138' ' ' ILE . 67.5 t -40.17 116.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 1.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.734 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 114.05 5.63 21.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 1.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.58 164.7 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 1.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -113.26 169.85 8.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 1.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.999 HG21 HD21 ' A' ' 115' ' ' LEU . 22.2 m -143.03 144.31 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.548 ' ND2' ' OD1' ' A' ' 113' ' ' ASP . 3.1 p-10 -118.63 148.62 42.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.473 HG23 ' H ' ' A' ' 132' ' ' SER . 3.2 t -40.18 108.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.371 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.97 10.86 11.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 1.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.548 ' OD1' ' ND2' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -112.0 133.94 53.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 1.0 109.244 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.737 HG23 ' CG ' ' A' ' 126' ' ' GLN . 23.5 m -60.37 143.62 52.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.999 HD21 HG21 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -112.17 -31.09 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.723 ' O ' HD13 ' A' ' 117' ' ' ILE . 1.2 p 177.72 -172.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 1.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.818 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 24.2 mm -123.46 154.21 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 127' ' ' ILE . 25.2 t -134.67 127.89 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.67 136.72 38.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -134.1 -175.94 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.08 . . . . 1.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -42.08 92.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 1.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER 39.97 51.11 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 1.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.68 116.7 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ttt -84.06 132.27 34.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 117' ' ' ILE . 5.3 m120 -129.3 159.92 34.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.737 ' CG ' HG23 ' A' ' 114' ' ' THR . 14.0 tt0 -128.21 148.88 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.2 mt -105.78 116.29 49.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 1.8 pm0 -101.44 121.89 42.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.857 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -43.46 133.03 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 1.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.5 p30 -112.92 15.49 19.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.0 OUTLIER -175.32 96.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 1.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 82.8 p -39.25 132.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 1.0 109.957 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.74 -171.81 31.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.112 . . . . 1.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.401 ' C ' HD13 ' A' ' 155' ' ' ILE . 21.1 m -126.65 149.36 49.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 0.727 . . . . 1.0 110.45 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.734 HG11 ' H ' ' A' ' 106' ' ' GLY . 14.0 p -41.26 160.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.523 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -151.81 -46.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.555 1.159 . . . . 1.0 109.247 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 174.16 132.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.249 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.739 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.42 112.61 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 1.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.858 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -82.13 -41.28 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.642 HG13 ' CE1' ' A' ' 91' ' ' PHE . 12.7 p -81.43 149.91 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -105.31 158.13 16.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 1.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.66 95.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 124.31 -33.9 3.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.549 1.156 . . . . 1.0 111.106 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.28 151.61 13.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.807 . . . . 1.0 110.299 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.04 167.23 27.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.366 1.719 . . . . 1.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.75 HG11 ' HB2' ' A' ' 91' ' ' PHE . 26.8 m -144.0 157.62 15.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 1.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.469 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.1 mt-10 -133.46 155.2 49.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 110.377 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.81 ' H ' HG22 ' A' ' 88' ' ' VAL . 18.2 t80 -62.93 134.94 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.4 t70 83.51 -5.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 1.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.469 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 49.6 mm-40 -87.77 149.43 45.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 110.244 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.858 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.01 161.36 38.88 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 1.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.892 HD11 ' HA ' ' A' ' 85' ' ' SER . 71.4 mt -132.39 -81.7 0.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 1.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.739 HG22 HG23 ' A' ' 138' ' ' ILE . 6.7 t -123.84 144.29 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 1.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.802 HG23 HD21 ' A' ' 139' ' ' LEU . 89.8 t -105.91 125.91 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.7 mm -109.3 162.27 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.471 ' CB ' ' HG3' ' A' ' 136' ' ' LYS . 2.6 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.821 HG13 HG13 ' A' ' 154' ' ' VAL . 4.2 mp -91.53 130.18 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 1.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.6 t -81.16 119.97 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.075 . . . . 1.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -104.66 112.98 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.694 ' HB3' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -45.48 103.81 0.36 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 1.0 109.986 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.36 8.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 1.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.5 mtt -149.0 134.02 18.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 1.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.787 HG13 ' HA ' ' A' ' 147' ' ' GLU . 10.8 t -74.79 144.6 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.51 -118.95 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 1.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 118' ' ' VAL . 90.9 m -130.82 167.19 19.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 1.0 110.408 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.787 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.0 t80 -138.82 138.14 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 64.3 m-85 -130.62 161.36 31.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 1.0 111.051 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.523 ' HD3' HG21 ' A' ' 138' ' ' ILE . 25.4 mmm-85 -108.78 -13.84 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.966 HG22 ' HA ' ' A' ' 101' ' ' ALA . 49.7 p -133.63 155.46 80.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.83 7.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.564 1.823 . . . . 1.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -142.33 178.0 1.67 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.017 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.97 -45.83 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.429 1.752 . . . . 1.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -99.47 47.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 1.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.05 160.72 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.503 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -71.75 165.07 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 1.0 109.377 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.966 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -84.21 133.21 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 1.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.811 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.0 m-85 -53.93 -40.31 66.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -138.06 103.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 11.1 pt-20 -82.74 118.18 23.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.459 HG22 HD11 ' A' ' 138' ' ' ILE . 94.0 t -40.29 116.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 1.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.676 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 116.43 5.99 15.88 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 1.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.94 171.13 8.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 1.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -115.63 176.8 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 132' ' ' SER . 35.0 m -150.94 146.73 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 0.6 OUTLIER -123.34 146.62 47.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 109.384 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.598 HG22 ' C ' ' A' ' 130' ' ' ASP . 3.2 t -40.2 108.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 1.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.22 -3.53 10.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 1.0 111.044 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.38 135.11 44.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.783 . . . . 1.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.811 HG21 ' CE1' ' A' ' 102' ' ' PHE . 58.0 m -58.27 144.89 39.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 129' ' ' ALA . 3.3 mt -112.85 -34.17 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.564 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 174.89 -173.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 108.328 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.458 HG13 ' CE2' ' A' ' 102' ' ' PHE . 4.6 mt -124.96 158.78 32.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 1.0 109.235 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 127' ' ' ILE . 36.4 t -143.35 125.2 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.3 tt0 -83.76 127.95 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.02 167.48 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 20.8 ptp 42.59 45.6 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 1.0 110.937 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.2 51.69 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 1.0 109.358 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.27 154.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 1.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -78.3 138.52 38.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 111.068 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -130.2 106.92 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.746 ' CG ' HG23 ' A' ' 114' ' ' THR . 13.7 tt0 -79.24 146.96 32.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.491 HD11 HG21 ' A' ' 118' ' ' VAL . 1.7 mt -109.07 116.62 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 1.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -95.7 114.62 26.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 110.315 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.644 ' HA ' HD12 ' A' ' 115' ' ' LEU . . . -40.39 132.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 1.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.598 ' C ' HG22 ' A' ' 111' ' ' VAL . 38.6 m-20 -117.76 14.24 14.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 1.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.5 OUTLIER -164.84 93.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.407 1.067 . . . . 1.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 63.5 p -39.08 138.66 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 1.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -170.05 -172.32 36.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 1.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.476 ' HB ' ' CG ' ' A' ' 156' ' ' GLU . 1.2 m -128.51 149.21 50.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 1.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.676 HG11 ' H ' ' A' ' 106' ' ' GLY . 11.9 p -41.44 161.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.576 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -151.89 -45.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 1.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.48 132.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.708 ' H ' HD12 ' A' ' 138' ' ' ILE . 0.4 OUTLIER -101.6 114.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.926 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -83.76 -42.67 16.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 1.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.593 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.4 p -78.31 159.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 1.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.02 162.25 16.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 1.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.0 t -75.38 92.33 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 119.05 -5.81 13.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.42 1.075 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.82 150.73 72.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 1.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.4 Cg_endo -75.05 159.19 41.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.596 1.84 . . . . 1.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.787 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.4 m -138.82 157.97 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.787 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.3 mt-10 -127.79 162.02 27.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.357 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.752 ' H ' HG22 ' A' ' 88' ' ' VAL . 25.5 t80 -64.56 131.6 47.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 1.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.6 t70 82.32 -4.25 1.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.595 1.184 . . . . 1.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -82.49 141.15 45.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 1.0 110.247 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.707 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.6 Cg_endo -74.88 153.59 42.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 1.0 111.071 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 85' ' ' SER . 82.9 mt -123.29 -81.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.4 1.062 . . . . 1.0 109.361 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 138' ' ' ILE . 4.7 t -115.34 139.55 41.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.926 HG23 HD21 ' A' ' 139' ' ' LEU . 86.3 t -102.89 118.98 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 11.2 mm -104.3 162.5 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.476 ' CG ' ' HB ' ' A' ' 134' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 1.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.567 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 17.4 m-70 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -138.61 115.9 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 1.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.461 HG12 HD12 ' A' ' 152' ' ' LEU . 53.7 t -80.87 117.39 26.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -104.38 119.62 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 1.0 110.354 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.6 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -38.88 99.47 0.19 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 1.0 110.021 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 1.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.2 tpp -159.83 115.21 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 1.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.83 HG13 ' HA ' ' A' ' 147' ' ' GLU . 10.7 t -56.12 145.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.18 -118.51 0.91 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 1.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 98.0 m -130.05 166.53 19.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 1.0 110.339 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.751 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.2 t80 -137.65 133.64 34.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 63.4 m-85 -127.09 153.59 45.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 1.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.685 HH21 ' HB3' ' A' ' 116' ' ' CYS . 0.9 OUTLIER -104.27 -13.97 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.972 HG22 ' HA ' ' A' ' 101' ' ' ALA . 69.5 p -135.38 155.57 78.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -10.54 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 1.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -159.66 174.63 3.81 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.409 1.068 . . . . 1.0 109.97 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.03 -34.5 3.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 1.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.0 19.91 18.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.626 1.204 . . . . 1.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -98.8 150.77 21.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.167 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -52.37 170.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 1.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.972 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -101.5 138.1 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.851 ' CE1' HG21 ' A' ' 114' ' ' THR . 20.2 m-85 -61.88 -38.83 89.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -150.42 103.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -87.71 133.14 33.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 1.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.678 HG22 HD11 ' A' ' 138' ' ' ILE . 62.6 t -40.4 117.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 1.0 109.296 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.728 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.55 25.27 6.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 1.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -124.32 165.36 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 1.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.75 174.67 5.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 1.0 109.223 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.453 ' CG1' HG12 ' A' ' 103' ' ' ILE . 16.0 m -152.4 150.95 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 1.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.442 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.7 m120 -137.01 146.54 45.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 1.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.4 108.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 1.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.27 -15.21 6.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 1.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.17 138.19 34.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.771 . . . . 1.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.851 HG21 ' CE1' ' A' ' 102' ' ' PHE . 94.2 m -53.82 173.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 1.0 110.437 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 129' ' ' ALA . 5.3 tp -136.8 -46.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.685 ' HB3' HH21 ' A' ' 93' ' ' ARG . 14.0 p -175.38 -168.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 108.253 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.422 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.9 mt -132.97 153.38 37.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 1.0 109.271 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 127' ' ' ILE . 43.7 t -133.74 131.74 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -99.61 128.63 45.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 1.0 110.242 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.539 ' HB1' ' SD ' ' A' ' 121' ' ' MET . . . -154.86 149.86 26.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 1.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.539 ' SD ' ' HB1' ' A' ' 120' ' ' ALA . 2.4 mpt? 52.48 25.49 3.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 1.0 111.051 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.58 42.31 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 1.0 109.247 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.9 147.18 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.82 131.39 35.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -132.36 101.2 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 1.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.94 157.75 27.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 118' ' ' VAL . 5.1 mt -128.96 115.88 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 1.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -86.42 153.29 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.509 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -63.46 141.03 58.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 1.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -121.03 21.59 11.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 81' ' ' HIS . 0.1 OUTLIER 173.8 106.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.442 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 84.0 p -50.64 149.12 3.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 1.0 109.95 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.442 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 169.92 -174.76 44.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 1.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 135' ' ' VAL . 12.9 m -116.75 165.62 13.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 1.0 110.406 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.728 HG11 ' H ' ' A' ' 106' ' ' GLY . 14.8 p -52.92 162.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.353 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.664 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -149.01 -49.73 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.242 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.56 133.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 1.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.878 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -106.56 114.28 45.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.789 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -83.19 -42.86 16.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.59 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.5 p -81.8 149.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.27 165.35 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.1 p -72.67 88.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.18 -12.52 6.75 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.465 1.103 . . . . 1.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.47 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -71.32 150.48 94.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 1.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -75.02 164.7 32.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.767 . . . . 1.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.751 HG11 ' HB2' ' A' ' 91' ' ' PHE . 20.7 m -142.41 157.85 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 1.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.83 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.9 mt-10 -135.5 160.07 39.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.737 ' H ' HG22 ' A' ' 88' ' ' VAL . 39.1 t80 -63.75 132.02 49.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 1.0 111.08 179.891 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.93 -10.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 -179.925 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 0.0 OUTLIER -80.72 144.77 56.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 1.0 110.363 179.952 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.694 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.0 Cg_endo -75.06 156.02 42.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.549 1.815 . . . . 1.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.6 HD11 ' HA ' ' A' ' 85' ' ' SER . 36.4 mt -120.87 -80.3 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 1.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.878 HG22 HG23 ' A' ' 138' ' ' ILE . 13.7 t -130.34 138.68 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.664 HG12 ' HB3' ' A' ' 136' ' ' LYS . 71.8 t -97.49 123.34 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -106.56 164.15 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.387 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.502 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.9 tp10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.735 ' CE1' HD12 ' A' ' 155' ' ' ILE . 1.2 p80 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 109.603 -0.517 . . . . 1.0 109.603 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.947 HG13 HG13 ' A' ' 154' ' ' VAL . 2.9 mt -137.4 117.79 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.669 HG23 ' HE1' ' A' ' 81' ' ' HIS . 37.7 t -78.37 121.17 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -109.05 120.39 42.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.554 ' OG ' HG21 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -45.83 103.99 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 1.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.69 8.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.531 1.806 . . . . 1.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.9 mtp -154.91 141.94 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 148' ' ' PHE . 9.4 t -78.91 139.0 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.18 -122.87 1.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 1.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.503 ' O ' HG13 ' A' ' 118' ' ' VAL . 93.7 m -127.07 168.29 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 1.0 110.447 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.777 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.8 t80 -140.32 129.63 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 1.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 77.1 m-85 -123.06 163.77 19.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 1.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.757 HH11 HG21 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -111.7 -13.78 13.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 1.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.903 HG22 ' HA ' ' A' ' 101' ' ' ALA . 26.4 p -136.94 155.37 76.37 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.595 1.184 . . . . 1.0 110.452 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.16 10.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 1.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -145.77 178.7 1.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.0 -39.75 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 1.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -106.8 43.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.14 156.14 35.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -60.91 170.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.903 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -98.36 133.2 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.933 ' CD1' HG21 ' A' ' 114' ' ' THR . 31.4 m-85 -60.01 -37.41 79.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -135.86 94.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.496 ' HG2' ' HB3' ' A' ' 101' ' ' ALA . 2.2 mm-40 -83.33 112.58 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 1.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.495 HG22 HD11 ' A' ' 138' ' ' ILE . 79.4 t -40.53 116.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 1.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.587 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 107.99 17.15 11.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 1.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -120.33 166.93 12.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 1.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -111.05 161.58 15.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 1.0 109.344 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.66 146.23 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 1.0 109.335 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.465 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 3.4 p30 -127.56 146.14 50.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.39 -7.89 9.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 1.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.93 138.49 35.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 1.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.933 HG21 ' CD1' ' A' ' 102' ' ' PHE . 90.7 m -52.29 174.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.511 ' H ' HG22 ' A' ' 114' ' ' THR . 4.5 tp -138.67 -45.98 0.49 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.558 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -176.55 -164.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 108.348 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.607 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.0 mt -135.05 155.03 37.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 109.363 179.882 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 90' ' ' THR . 47.9 t -141.42 126.63 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.417 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.2 tt0 -85.13 126.92 34.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 1.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.95 157.49 29.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 1.8 mtp 46.76 41.14 9.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 121' ' ' MET . 10.8 ptmt 48.64 47.17 20.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 1.0 109.335 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.12 144.78 5.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ptm -71.42 133.95 46.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 1.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -128.4 102.59 6.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -64.06 159.09 20.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.8 mm -125.98 115.85 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 109.328 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -93.95 149.87 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -67.12 165.06 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 1.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.14 18.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 10.8 tttt 179.98 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 62.6 p -39.35 146.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 110.025 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.03 -173.45 46.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 1.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 155' ' ' ILE . 1.1 m -122.12 154.45 37.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 1.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.587 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.9 p -45.1 159.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.368 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 18.5 tttt -144.21 -48.77 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 1.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 174.37 132.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 1.0 109.364 -179.917 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.45 125.51 57.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.889 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -93.16 -42.84 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 109.362 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.55 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.3 p -76.88 165.69 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 1.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.463 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.0 OUTLIER -118.88 166.13 13.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 1.0 110.305 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.64 94.01 5.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.007 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 117.35 -6.53 16.74 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 1.0 111.001 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -79.86 151.28 73.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 1.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.1 Cg_endo -75.01 159.73 40.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 91' ' ' PHE . 4.4 m -139.43 157.14 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.638 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -129.71 155.33 46.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.369 179.935 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.851 ' H ' HG22 ' A' ' 88' ' ' VAL . 10.7 t80 -62.46 135.72 57.56 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.527 1.142 . . . . 1.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.5 t0 84.48 -7.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 10.9 mm-40 -85.51 148.72 50.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 1.0 110.268 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.768 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.0 162.99 36.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 1.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.492 HD12 HG12 ' A' ' 83' ' ' VAL . 29.7 mt -127.93 -80.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 138' ' ' ILE . 5.8 t -131.33 140.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 1.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.947 HG13 HG13 ' A' ' 82' ' ' ILE . 3.5 t -100.22 130.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.735 HD12 ' CE1' ' A' ' 81' ' ' HIS . 19.7 mt -117.15 164.25 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.508 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.3 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 1.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.835 ' CG1' HG13 ' A' ' 154' ' ' VAL . 5.9 mt -94.54 122.55 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.748 HG12 HD12 ' A' ' 152' ' ' LEU . 55.1 t -74.91 117.17 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 1.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -107.28 113.82 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.295 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.502 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -40.83 101.3 0.24 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 1.0 110.036 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 0.42 8.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.585 1.834 . . . . 1.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.2 tpp -154.69 133.97 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.924 HG13 ' HA ' ' A' ' 147' ' ' GLU . 2.8 t -69.91 140.59 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.98 -121.09 1.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 1.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 85.0 m -131.93 165.17 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 1.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.8 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.9 t80 -135.23 131.05 36.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 1.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 57.9 m-85 -124.35 148.97 47.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 1.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.6 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 23.8 mmm-85 -97.59 -13.75 21.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 1.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.944 HG22 ' HA ' ' A' ' 101' ' ' ALA . 21.4 p -136.92 155.59 76.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.12 21.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 1.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.456 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -159.68 175.48 3.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.968 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.09 -32.43 5.29 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 1.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -118.53 35.39 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.53 160.21 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 173.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 109.36 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.944 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -101.56 133.01 46.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.687 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 32.6 m-85 -60.17 -37.35 79.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.514 HG21 ' HA ' ' A' ' 115' ' ' LEU . 1.4 pp -142.36 98.92 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 1.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.89 114.89 20.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.1 t -42.02 116.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 1.0 109.372 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.631 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.95 11.48 16.29 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -115.64 171.17 7.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 1.0 110.314 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 159.16 18.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 109.216 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 132' ' ' SER . 27.4 m -136.77 134.08 48.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 1.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -122.97 150.28 43.19 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.457 1.098 . . . . 1.0 109.217 -179.927 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.58 109.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.12 -14.6 7.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 1.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.14 137.63 32.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.631 HG21 ' CD1' ' A' ' 102' ' ' PHE . 59.5 m -63.3 162.92 11.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 1.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.719 HD23 HG21 ' A' ' 83' ' ' VAL . 1.4 tp -123.46 -43.23 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.267 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.551 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.0 p -176.05 -168.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 1.0 108.259 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 125' ' ' ASN . 16.1 mm -131.1 148.73 32.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.514 1.134 . . . . 1.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.616 ' CG2' HD11 ' A' ' 127' ' ' ILE . 38.9 t -129.26 127.15 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 1.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.15 135.65 41.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 1.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -133.32 -175.96 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.9 mmm -39.92 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 1.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 120' ' ' ALA . 10.3 ptmm? 40.16 54.96 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.99 117.39 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.606 1.191 . . . . 1.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -91.48 134.81 34.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 1.0 111.023 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.74 ' O ' HG23 ' A' ' 117' ' ' ILE . 10.2 m120 -133.98 162.84 30.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.619 ' CG ' HG23 ' A' ' 114' ' ' THR . 8.0 tt0 -128.68 154.36 46.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 1.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.616 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -111.94 117.16 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -97.56 128.91 44.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 1.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.48 133.02 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -119.1 14.83 13.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.35 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.89 90.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 1.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 85.4 p -39.24 135.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 1.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.87 -173.16 41.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 1.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.4 m -115.18 154.51 28.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 1.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.631 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.4 p -49.73 145.59 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.684 ' HE3' HG12 ' A' ' 154' ' ' VAL . 1.8 ttpp -124.68 -45.54 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.98 133.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.316 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.968 HG23 HG22 ' A' ' 153' ' ' VAL . 1.6 mt -100.23 130.52 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.748 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -99.95 -46.52 5.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 1.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.57 HG11 ' CD2' ' A' ' 91' ' ' PHE . 14.9 p -69.71 167.89 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 1.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.488 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.3 OUTLIER -120.48 160.01 24.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 1.0 110.337 179.958 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.3 p -73.85 89.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 110.011 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 122.49 -10.1 9.25 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 1.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.49 149.19 86.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 1.0 110.285 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.46 43.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 1.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.8 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.9 m -138.82 163.64 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.924 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.4 pt-20 -138.43 163.37 32.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 1.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.859 ' H ' HG22 ' A' ' 88' ' ' VAL . 24.7 t80 -62.75 134.79 56.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.063 . . . . 1.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 11.7 t0 81.73 -3.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 1.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.447 ' HB2' ' CG ' ' A' ' 147' ' ' GLU . 2.5 tm-20 -86.46 139.82 33.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.748 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.02 158.32 42.19 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.473 1.775 . . . . 1.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.748 HD12 HG12 ' A' ' 83' ' ' VAL . 35.2 mt -127.83 -79.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.968 HG22 HG23 ' A' ' 138' ' ' ILE . 5.8 t -124.99 140.62 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 1.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.835 HG13 ' CG1' ' A' ' 82' ' ' ILE . 35.2 t -101.08 130.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.6 mp -121.27 163.73 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 1.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.486 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 6.9 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.58 ' CD2' ' N ' ' A' ' 81' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.594 -0.521 . . . . 1.0 109.594 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.6 mp -91.22 116.2 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 1.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.938 HG12 HD12 ' A' ' 152' ' ' LEU . 62.4 t -81.97 121.6 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.421 1.076 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -113.8 128.83 56.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 1.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.812 ' HA ' HD11 ' A' ' 152' ' ' LEU . 13.4 t -47.98 105.26 0.47 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 1.0 109.968 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.53 8.79 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.457 1.767 . . . . 1.0 111.022 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.66 125.78 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 1.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.746 HG22 ' H ' ' A' ' 148' ' ' PHE . 20.9 t -53.7 138.22 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.78 -143.16 7.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 1.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 143' ' ' GLY . 86.6 m -123.9 120.12 31.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 1.0 110.395 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.692 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.2 t80 -86.28 128.52 34.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 40.0 m-85 -121.05 146.01 47.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 1.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.513 ' HD3' HG21 ' A' ' 138' ' ' ILE . 5.9 mmm180 -95.04 -15.06 23.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.964 HG22 ' HA ' ' A' ' 101' ' ' ALA . 68.8 p -130.58 155.51 81.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 110.422 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -74.93 -29.74 8.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.382 1.728 . . . . 1.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.491 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -140.59 177.72 1.86 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 1.0 109.973 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.04 -44.7 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 1.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -99.35 50.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.78 143.91 43.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.401 1.063 . . . . 1.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 168.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.964 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -77.63 132.97 38.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.954 ' CE1' HG21 ' A' ' 114' ' ' THR . 5.5 m-85 -47.51 -43.14 24.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.11 126.44 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 1.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -96.36 115.68 27.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 1.0 110.323 179.936 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.654 HG22 HD11 ' A' ' 138' ' ' ILE . 79.8 t -39.95 116.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 1.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.597 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 114.54 11.54 11.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.45 165.57 13.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 1.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.57 161.39 14.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 133' ' ' GLY . 26.3 m -139.99 141.5 33.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 1.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.408 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 23.5 t-20 -126.52 148.36 49.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.44 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 1.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.65 -15.64 5.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 1.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.84 135.71 33.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 0.798 . . . . 1.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.954 HG21 ' CE1' ' A' ' 102' ' ' PHE . 49.4 m -61.03 149.25 37.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 1.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 115' ' ' LEU . 4.0 tp -116.7 -38.46 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 15.6 p -179.47 -171.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 95' ' ' PRO . 6.0 mt -133.06 158.3 43.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 1.0 109.396 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.543 HG21 HD11 ' A' ' 127' ' ' ILE . 94.2 t -138.29 120.24 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -94.31 125.3 38.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 1.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.78 142.53 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.4 mmm 53.85 29.18 9.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 1.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? 69.09 37.05 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.69 131.31 24.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.2 mtt -78.12 133.22 37.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -134.61 103.35 5.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.288 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.58 158.3 27.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 1.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.543 HD11 HG21 ' A' ' 118' ' ' VAL . 3.3 mt -132.63 115.85 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 1.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -88.11 149.84 23.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 1.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.58 133.13 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.01 17.8 19.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.0 OUTLIER 177.81 90.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 1.0 109.376 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.408 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 87.3 p -39.41 143.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.0 109.967 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.485 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 172.6 -172.94 45.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.102 . . . . 1.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 155' ' ' ILE . 3.2 m -107.66 165.45 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 1.0 110.438 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.597 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.9 p -62.07 147.63 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.514 1.133 . . . . 1.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -126.67 -47.22 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 1.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.81 135.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.759 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -101.9 118.2 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.918 HD21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -88.43 -42.32 12.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 1.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.586 HG13 ' CE1' ' A' ' 91' ' ' PHE . 13.2 p -83.54 148.49 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 1.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.47 161.64 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 1.0 110.345 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.1 p -65.15 99.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 1.0 110.052 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 119.61 -26.46 7.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 1.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.458 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 28.8 tt0 -56.6 140.39 74.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 1.0 110.36 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.5 Cg_endo -75.0 159.83 40.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 1.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.692 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.7 m -141.33 157.05 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.512 ' HG2' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.72 165.58 19.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 110.256 -179.934 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.746 ' H ' HG22 ' A' ' 88' ' ' VAL . 19.8 t80 -64.69 128.97 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 1.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 7.1 t70 84.68 3.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 1.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.478 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 23.4 mm-40 -89.81 150.47 43.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.614 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.04 165.28 31.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 1.0 111.033 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.938 HD12 HG12 ' A' ' 83' ' ' VAL . 80.9 mt -135.05 -81.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.759 HG22 HG23 ' A' ' 138' ' ' ILE . 9.3 t -133.11 149.43 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 1.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.918 HG23 HD21 ' A' ' 139' ' ' LEU . 27.6 t -103.28 127.11 57.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.9 mp -116.16 164.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 1.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 1.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 130' ' ' ASP . 1.9 t60 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.931 HG13 HG13 ' A' ' 154' ' ' VAL . 2.7 mp -100.45 118.28 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.77 HG21 HD23 ' A' ' 115' ' ' LEU . 86.4 t -63.97 116.53 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -108.97 103.1 12.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.654 ' HB2' HD11 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -39.56 104.6 0.33 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 1.0 109.935 -179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.53 8.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.369 1.721 . . . . 1.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.5 mtt -148.74 128.73 13.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 1.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.753 HG13 ' HA ' ' A' ' 147' ' ' GLU . 21.0 t -69.92 141.3 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 1.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.95 -123.27 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 1.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.473 ' CA ' HG22 ' A' ' 146' ' ' VAL . 98.8 m -125.28 168.94 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 1.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.837 ' HD2' HD13 ' A' ' 152' ' ' LEU . 4.4 t80 -139.3 139.08 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 1.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.7 m-85 -133.37 150.74 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.819 ' CZ ' HD13 ' A' ' 138' ' ' ILE . 13.5 mmm180 -97.61 -16.41 20.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 1.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.961 HG22 ' HA ' ' A' ' 101' ' ' ALA . 82.4 p -131.99 155.54 81.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 1.0 110.466 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.03 15.22 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.441 1.759 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.79 169.17 9.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 1.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.67 13.55 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 1.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.64 35.94 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.99 148.65 46.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -56.54 170.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 1.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.961 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -88.76 134.48 33.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 1.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.843 ' CE1' HG21 ' A' ' 114' ' ' THR . 10.0 m-85 -53.87 -40.99 67.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 1.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.464 HG23 ' NH2' ' A' ' 93' ' ' ARG . 0.4 OUTLIER -137.16 129.33 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 1.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 2.7 tt0 -106.68 119.64 39.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 1.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . 59.6 t -40.39 116.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.662 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.03 26.19 4.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 1.0 111.063 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.01 161.82 34.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 1.0 110.236 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -104.23 174.63 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 1.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 133' ' ' GLY . 16.8 m -151.09 138.88 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 1.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' VAL . 2.0 t-20 -127.67 148.94 50.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -40.45 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 1.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.21 -6.46 6.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.581 1.176 . . . . 1.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.44 137.77 46.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 0.734 . . . . 1.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.843 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.3 m -59.17 174.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.425 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.77 HD23 HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -136.61 -46.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 1.0 109.359 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -174.53 -163.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 1.0 108.29 179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.461 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.3 mt -138.5 152.63 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 127' ' ' ILE . 16.3 t -135.49 133.15 52.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 1.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.419 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.0 tt0 -95.37 129.87 42.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.02 169.1 8.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.5 ptp 42.53 45.71 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm 41.53 51.84 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.25 157.61 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 1.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttp -80.57 143.02 33.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -137.42 98.45 3.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -68.67 153.55 43.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 1.0 110.31 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 118' ' ' VAL . 4.0 mt -120.69 115.77 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -93.13 146.38 23.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 110.348 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.75 133.13 21.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 1.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.444 ' OD2' ' NE2' ' A' ' 81' ' ' HIS . 2.2 p30 -124.35 15.74 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -173.11 84.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.0 p -39.25 132.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.005 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 109' ' ' VAL . . . -179.72 -173.1 44.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 1.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 135' ' ' VAL . 14.3 m -108.99 170.88 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 1.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.662 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.9 p -64.79 145.56 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.454 1.097 . . . . 1.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.642 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -124.73 -46.86 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 1.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.9 133.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.89 HG23 HG22 ' A' ' 153' ' ' VAL . 1.2 mt -102.06 133.09 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 1.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -104.63 -44.75 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.642 HG13 ' CE1' ' A' ' 91' ' ' PHE . 12.2 p -82.62 141.42 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.8 -179.24 3.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 1.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.6 99.08 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 1.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.51 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 121.97 -29.42 5.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 1.0 111.001 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -52.47 150.16 9.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 1.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.01 175.12 11.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 1.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.643 HG12 ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -148.57 156.54 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 1.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.753 ' HA ' HG13 ' A' ' 88' ' ' VAL . 10.6 tt0 -134.99 170.43 15.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 110.327 179.929 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.748 ' N ' HG22 ' A' ' 88' ' ' VAL . 32.6 t80 -59.67 137.29 58.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 1.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 55.28 19.27 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 1.0 109.305 179.937 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 36.7 tp10 -80.72 135.15 52.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 1.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.47 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.02 122.89 7.48 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 1.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.837 HD13 ' HD2' ' A' ' 91' ' ' PHE . 23.4 mt -99.64 -77.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.89 HG22 HG23 ' A' ' 138' ' ' ILE . 3.6 t -124.88 139.89 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.931 HG13 HG13 ' A' ' 82' ' ' ILE . 21.0 t -96.38 125.17 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 1.0 109.236 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.468 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.7 mp -113.03 160.76 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 1.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 1.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.406 ' CD2' ' HB2' ' A' ' 131' ' ' LYS . 3.3 t60 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.599 -0.519 . . . . 1.0 109.599 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.924 HG13 HG13 ' A' ' 154' ' ' VAL . 5.0 mp -92.06 129.67 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 1.0 109.26 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.3 t -83.7 120.96 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -99.67 125.29 45.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.72 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -47.23 104.82 0.43 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 109.999 -179.927 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.35 8.98 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.553 1.818 . . . . 1.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.1 tpt -159.96 143.8 14.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.856 HG22 ' H ' ' A' ' 148' ' ' PHE . 7.2 t -79.67 139.12 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.62 -122.12 1.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 1.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 91' ' ' PHE . 97.5 m -127.76 169.55 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.771 . . . . 1.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.784 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.6 t80 -139.93 140.44 36.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 1.0 110.985 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 72.0 m-85 -133.82 150.3 51.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.511 ' HD3' HG21 ' A' ' 138' ' ' ILE . 6.1 mmm180 -94.95 -18.76 20.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.957 HG22 ' HA ' ' A' ' 101' ' ' ALA . 44.7 p -129.27 155.4 80.04 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.471 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -75.02 -28.94 8.71 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.799 . . . . 1.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -141.86 175.05 3.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 1.0 110.065 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 -44.55 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 1.0 111.049 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.47 24.07 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.51 138.49 49.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 1.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -56.97 178.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 1.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.957 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -85.39 133.13 34.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.843 ' CE1' HG21 ' A' ' 114' ' ' THR . 5.3 m-85 -49.6 -42.63 45.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 1.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.873 HD12 HD13 ' A' ' 115' ' ' LEU . 17.4 mt -129.46 121.57 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -90.26 112.84 24.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.484 ' HA ' HG21 ' A' ' 135' ' ' VAL . 55.8 t -40.33 116.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.556 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 103.01 27.35 6.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 1.0 111.063 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 134' ' ' THR . 0.0 OUTLIER -123.98 161.66 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 1.0 110.23 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -98.35 141.46 31.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 1.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 103' ' ' ILE . 17.5 m -138.82 130.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 22.0 m-80 -122.01 155.07 36.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 1.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -40.46 112.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 1.0 109.264 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.14 -23.62 4.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 1.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.11 135.09 37.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.736 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.843 HG21 ' CE1' ' A' ' 102' ' ' PHE . 94.0 m -51.23 174.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.873 HD13 HD12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -136.91 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 1.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.559 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -172.96 -164.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.475 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.3 mt -137.1 152.78 28.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' THR . 54.9 t -135.32 128.81 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 1.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -91.95 128.96 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 1.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -163.3 151.71 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.0 mtp 53.29 21.22 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.95 40.84 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 1.0 109.368 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.6 mmm -149.14 152.5 36.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.93 103.07 15.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -95.25 112.75 24.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 1.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -73.89 143.76 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.6 mm -111.33 115.82 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -90.02 136.47 33.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 1.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.771 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -40.43 133.1 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 1.0 109.23 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -120.06 15.47 12.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 81' ' ' HIS . 3.5 mttp -179.68 91.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 1.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.471 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 56.9 p -39.22 149.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.41 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . 179.04 -173.29 45.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 1.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.749 ' O ' HG12 ' A' ' 135' ' ' VAL . 42.6 m -128.0 65.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 1.0 110.378 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 134' ' ' THR . 6.3 p 50.63 178.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 1.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.68 ' H ' HG22 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -166.6 -48.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.93 133.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 1.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.869 HG23 HG22 ' A' ' 153' ' ' VAL . 2.3 mm -97.22 123.44 49.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 1.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.794 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -93.24 -44.13 8.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.639 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.3 p -86.79 144.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 1.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.92 168.04 11.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 1.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 59.5 p -76.68 90.09 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 1.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.1 -5.43 7.31 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 1.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -79.3 150.13 73.51 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 1.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -74.96 161.21 39.25 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.485 1.781 . . . . 1.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 91' ' ' PHE . 12.4 m -140.54 157.39 24.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.66 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.6 mt-10 -133.04 154.71 50.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.611 1.194 . . . . 1.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.856 ' H ' HG22 ' A' ' 88' ' ' VAL . 16.4 t80 -62.57 135.08 57.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.0 t70 83.16 -5.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.3 mm-40 -89.04 150.11 44.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 1.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.696 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.01 155.29 42.88 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.792 . . . . 1.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.72 HD11 ' HA ' ' A' ' 85' ' ' SER . 78.5 mt -124.57 -81.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.869 HG22 HG23 ' A' ' 138' ' ' ILE . 83.4 t -123.44 152.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 1.0 109.233 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.924 HG13 HG13 ' A' ' 82' ' ' ILE . 23.5 t -113.43 120.37 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 1.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.697 HD11 HD11 ' A' ' 115' ' ' LEU . 2.2 mp -112.36 163.24 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.0 109.286 -179.92 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.9 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 1.0 110.327 179.916 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 t60 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.914 HG13 HG13 ' A' ' 154' ' ' VAL . 4.4 mp -95.04 119.36 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.891 HG21 HD23 ' A' ' 115' ' ' LEU . 55.0 t -72.9 117.29 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 1.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 7.9 mtm-85 -113.05 124.71 53.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 1.143 . . . . 1.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.476 ' CA ' HD11 ' A' ' 152' ' ' LEU . 1.0 OUTLIER -49.27 105.96 0.57 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 1.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.69 8.61 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.419 1.747 . . . . 1.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.85 123.79 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 147' ' ' GLU . 39.6 t -55.62 142.09 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.509 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 162.11 -114.45 0.61 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 1.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.482 ' C ' HG13 ' A' ' 146' ' ' VAL . 89.9 m -141.13 168.61 19.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 1.0 110.378 -179.944 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.601 ' HB3' HG21 ' A' ' 140' ' ' VAL . 2.3 t80 -138.1 144.1 40.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 61.8 m-85 -139.0 154.82 48.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.6 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.7 mmm-85 -101.55 -14.08 17.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 1.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.967 HG22 ' HA ' ' A' ' 101' ' ' ALA . 42.7 p -134.97 155.46 79.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 1.0 110.406 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -25.33 11.86 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.779 . . . . 1.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.35 178.63 1.38 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 1.0 110.059 179.925 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.91 -46.44 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.798 . . . . 1.0 111.054 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -99.46 48.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.01 152.32 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 1.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -61.56 168.33 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 1.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.967 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -91.0 138.2 31.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 1.0 109.373 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.917 ' CE1' HG21 ' A' ' 114' ' ' THR . 19.4 m-85 -60.62 -39.55 88.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 1.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -147.1 101.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 1.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -91.17 135.86 33.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 1.0 110.263 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.427 ' HA ' HG21 ' A' ' 135' ' ' VAL . 56.5 t -39.9 116.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.92 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.588 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.61 28.54 5.36 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 1.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.73 160.47 34.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 0.716 . . . . 1.0 110.258 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.446 ' C ' HG13 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -113.18 171.81 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.918 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.924 HG21 HD11 ' A' ' 115' ' ' LEU . 33.9 m -154.46 147.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.5 t-20 -121.81 147.71 45.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 1.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.35 109.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 1.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.66 -23.42 6.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 1.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 136.09 35.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.917 HG21 ' CE1' ' A' ' 102' ' ' PHE . 95.4 m -54.89 141.48 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 110.331 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.924 HD11 HG21 ' A' ' 109' ' ' VAL . 1.9 tp -113.5 -31.9 6.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.571 1.17 . . . . 1.0 109.284 179.907 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.5 p 179.11 -173.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 108.276 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 125' ' ' ASN . 4.8 mt -129.29 145.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' THR . 6.8 t -125.98 126.5 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 1.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.27 140.49 34.44 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.52 1.137 . . . . 1.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -136.61 -176.27 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 109.353 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.5 ptm -37.91 94.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.474 1.109 . . . . 1.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 39.87 57.49 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 1.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.23 121.65 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttt -95.47 123.75 39.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.741 ' O ' HG23 ' A' ' 117' ' ' ILE . 4.8 m120 -124.63 157.04 36.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.354 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -116.44 158.47 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.6 mm -115.64 116.44 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.362 1.039 . . . . 1.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 7.6 pt-20 -96.74 118.67 33.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 1.0 110.288 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.853 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.49 133.01 2.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 1.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -118.28 10.5 12.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 1.0 109.334 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.1 mptp? -158.52 84.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 1.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.471 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 59.9 p -39.11 133.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.54 -172.57 43.05 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 1.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.574 HG22 ' H ' ' A' ' 135' ' ' VAL . 2.5 m -110.12 -174.42 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 1.0 110.34 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.588 HG11 ' H ' ' A' ' 106' ' ' GLY . 14.8 p -71.04 143.0 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.709 ' HD2' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -124.94 -46.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.596 1.185 . . . . 1.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.42 132.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.953 HG23 HG22 ' A' ' 153' ' ' VAL . 1.3 mt -102.68 134.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 1.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -109.85 -43.49 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.4 p -68.13 155.23 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 1.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.1 147.12 37.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 1.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.2 t -60.29 91.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 1.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.06 -17.62 7.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 1.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -64.71 151.39 92.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 1.0 110.313 179.937 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -74.99 159.24 41.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 1.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.3 m -124.14 158.89 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.585 ' HA ' HG22 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -140.04 165.59 26.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 1.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.452 ' N ' HG22 ' A' ' 88' ' ' VAL . 19.0 t80 -59.26 138.1 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 54.98 19.55 2.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 13.5 tm-20 -85.75 132.64 43.66 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.137 . . . . 1.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.436 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.0 Cg_endo -75.02 134.93 18.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 1.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 91' ' ' PHE . 20.4 mt -110.19 -80.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 1.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.953 HG22 HG23 ' A' ' 138' ' ' ILE . 9.9 t -121.81 145.62 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.914 HG13 HG13 ' A' ' 82' ' ' ILE . 23.7 t -103.22 122.22 55.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.459 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.6 mp -111.25 157.41 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.4 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.5 tt0 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 1.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.635 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.546 -0.538 . . . . 1.0 109.546 . . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.635 HD12 ' C ' ' A' ' 81' ' ' HIS . 4.0 mp -148.21 117.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.248 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.841 HG21 HD13 ' A' ' 115' ' ' LEU . 74.7 t -74.84 116.86 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -108.61 121.23 44.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.621 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -45.78 103.96 0.37 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 1.0 109.988 179.992 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 1.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.93 133.23 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.709 HG22 ' H ' ' A' ' 148' ' ' PHE . 18.2 t -66.02 147.46 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.85 -120.01 0.96 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 1.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 145' ' ' PRO . 31.8 m -132.46 163.05 29.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.798 . . . . 1.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.602 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.6 t80 -134.68 136.41 42.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -129.97 154.11 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 1.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.778 HH12 HD11 ' A' ' 103' ' ' ILE . 10.8 mmm180 -103.64 -13.27 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.972 HG22 ' HA ' ' A' ' 101' ' ' ALA . 45.7 p -136.2 155.76 77.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 1.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.11 21.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.43 1.753 . . . . 1.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.575 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.1 OUTLIER -158.34 177.27 2.17 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 1.0 109.986 -179.889 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 -41.18 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 1.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.47 19.98 19.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -94.17 156.94 16.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 1.0 109.366 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -58.28 169.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.357 -179.982 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.972 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -95.86 134.6 38.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.709 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 26.5 m-85 -58.16 -38.31 76.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 1.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.778 HD11 HH12 ' A' ' 93' ' ' ARG . 1.1 pt -146.87 105.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 1.0 109.399 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.59 123.44 30.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 1.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.567 HG22 HD11 ' A' ' 138' ' ' ILE . 57.5 t -40.41 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 1.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.633 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.82 12.25 19.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.146 . . . . 1.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.34 159.71 19.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 1.0 110.355 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 165.03 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 1.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.8 m -143.2 139.11 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' VAL . 9.7 p-10 -115.02 147.12 40.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.497 HG23 ' H ' ' A' ' 132' ' ' SER . 3.4 t -40.28 109.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 1.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.47 23.72 4.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 1.0 111.052 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.0 132.95 53.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 1.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.639 HG21 ' CE1' ' A' ' 102' ' ' PHE . 34.7 m -58.54 142.76 48.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 1.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.027 HD21 HG22 ' A' ' 127' ' ' ILE . 2.2 pp -112.5 -31.9 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 1.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.777 ' SG ' HD12 ' A' ' 127' ' ' ILE . 13.9 p -178.65 -176.19 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 108.335 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.774 HD13 ' O ' ' A' ' 116' ' ' CYS . 20.4 mm -125.77 153.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.784 ' CG2' HD11 ' A' ' 127' ' ' ILE . 23.3 t -132.5 124.98 52.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 1.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.21 137.23 38.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 1.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -131.75 -175.84 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.05 91.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 1.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 120' ' ' ALA . 1.6 ttpm? 46.2 47.55 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 1.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.42 114.16 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 1.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ttt -87.72 141.7 28.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 1.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.603 ' O ' HG23 ' A' ' 117' ' ' ILE . 11.8 m120 -136.9 155.83 49.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.693 ' HG3' HD12 ' A' ' 117' ' ' ILE . 7.7 mp0 -121.76 142.64 49.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 1.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 1.027 HG22 HD21 ' A' ' 115' ' ' LEU . 5.9 mt -105.58 116.05 48.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -99.5 128.19 45.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 1.0 110.261 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.406 ' N ' HD23 ' A' ' 115' ' ' LEU . . . -40.27 133.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 1.0 109.253 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -109.8 14.55 23.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 1.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.0 tttm 179.93 98.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.362 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.497 ' H ' HG23 ' A' ' 111' ' ' VAL . 6.0 m -39.17 143.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.42 -174.53 47.04 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.538 1.149 . . . . 1.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 31.7 m -115.2 158.37 22.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 0.762 . . . . 1.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.633 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.7 p -49.56 162.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 1.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.576 ' HB3' HG12 ' A' ' 154' ' ' VAL . 4.1 tmtt? -143.93 -50.53 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 1.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.85 132.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.938 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.16 126.16 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 1.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.77 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -96.27 -44.65 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.386 1.054 . . . . 1.0 109.29 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.557 HG11 ' CE2' ' A' ' 91' ' ' PHE . 7.2 p -72.57 160.23 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -122.14 139.42 53.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.2 p -49.0 101.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 1.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 90' ' ' THR . . . 120.36 -35.54 3.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.46 151.18 7.9 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 1.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -74.98 169.0 23.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 1.0 111.055 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -136.7 157.04 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 1.0 109.236 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.489 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.0 tt0 -136.23 159.69 40.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 110.351 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.709 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.0 t80 -66.11 127.18 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 1.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.9 t70 81.88 1.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.467 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 1.5 tt0 -83.52 145.4 47.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 1.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.766 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.98 155.56 43.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 1.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.833 HD12 HG12 ' A' ' 83' ' ' VAL . 88.6 mt -127.16 -81.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 1.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.938 HG22 HG23 ' A' ' 138' ' ' ILE . 5.3 t -129.51 139.47 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.643 HG23 HD21 ' A' ' 139' ' ' LEU . 74.5 t -96.06 127.87 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.7 mp -113.13 163.78 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 1.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.8 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 1.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.507 ' CG ' ' HD2' ' A' ' 131' ' ' LYS . 10.7 t60 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.623 -0.51 . . . . 1.0 109.623 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.956 ' CD1' HG13 ' A' ' 154' ' ' VAL . 15.5 mm -140.83 121.98 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 1.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.75 116.34 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -112.9 124.39 52.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -49.6 106.14 0.59 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 0.49 8.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 1.0 111.069 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.04 129.75 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 1.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.747 HG22 ' H ' ' A' ' 148' ' ' PHE . 24.7 t -63.15 138.15 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 1.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.04 -125.35 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.12 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.491 ' CA ' HG22 ' A' ' 146' ' ' VAL . 97.8 m -126.45 167.96 14.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 1.0 110.408 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.814 ' HD2' HD13 ' A' ' 152' ' ' LEU . 3.1 t80 -139.6 135.59 33.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.076 . . . . 1.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -128.28 162.83 26.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 1.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.437 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 21.7 mmm-85 -109.99 -13.9 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 1.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.722 HG22 ' HA ' ' A' ' 101' ' ' ALA . 8.5 p -127.69 155.55 76.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.418 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.2 Cg_endo -75.06 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 1.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -139.25 178.59 1.57 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.98 153.41 41.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t70 62.06 22.3 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 1.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -113.2 152.45 29.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -71.97 164.28 26.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.41 1.069 . . . . 1.0 109.27 -179.914 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.722 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -75.68 132.86 40.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 1.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.882 ' CE1' HG21 ' A' ' 114' ' ' THR . 5.7 m-85 -45.5 -43.73 11.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.482 ' C ' HD13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -135.08 119.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 1.0 109.284 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -91.71 116.61 29.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 1.0 110.241 -179.985 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' GLU . 57.8 t -40.23 116.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.62 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 116.37 8.72 12.45 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.137 . . . . 1.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -114.74 171.15 7.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 1.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -110.13 158.81 17.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.504 HG21 HD11 ' A' ' 115' ' ' LEU . 29.1 m -137.4 137.93 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -119.08 147.33 44.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.24 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.36 109.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.84 -21.93 6.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 1.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.42 136.72 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.629 0.841 . . . . 1.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.882 HG21 ' CE1' ' A' ' 102' ' ' PHE . 98.4 m -62.14 150.81 37.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.821 HD13 ' HB2' ' A' ' 129' ' ' ALA . 0.3 OUTLIER -116.78 -38.8 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.546 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.5 p -179.93 -173.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 1.0 108.291 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.438 HG13 ' CE2' ' A' ' 102' ' ' PHE . 4.9 mt -126.61 160.42 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 1.0 109.318 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.551 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.6 t -143.99 132.92 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 1.0 109.239 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.9 tt0 -91.76 128.48 37.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -167.98 168.2 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 1.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 15.1 ptt? 42.52 45.5 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.97 51.87 4.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.73 156.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.422 ' CG ' HG21 ' A' ' 117' ' ' ILE . 36.9 ttp -74.09 144.29 45.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 1.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -137.91 99.49 3.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -73.55 150.78 41.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 1.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.551 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -116.14 117.16 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 1.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -95.99 123.45 39.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.821 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.38 133.01 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.34 14.64 11.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.507 ' HD2' ' CG ' ' A' ' 81' ' ' HIS . 2.3 ttmm -163.2 84.64 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.473 1.108 . . . . 1.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' LYS . 53.4 p -39.2 141.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.12 -174.21 46.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 1.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.5 m -114.29 147.41 39.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.803 . . . . 1.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.62 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.0 p -41.49 160.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.72 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -143.46 -49.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.71 132.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 1.0 109.363 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.928 HG23 HG22 ' A' ' 153' ' ' VAL . 1.7 mt -100.21 120.05 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 1.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.753 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -89.08 -44.18 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.327 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.665 HG13 ' CE1' ' A' ' 91' ' ' PHE . 12.9 p -81.61 159.95 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 1.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.55 176.61 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 1.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 88.8 p -78.12 97.94 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 1.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 90' ' ' THR . . . 123.82 -37.1 2.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.506 1.129 . . . . 1.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -46.5 150.29 1.22 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 1.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.02 176.08 10.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 1.0 111.067 179.91 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.675 HG12 ' CD2' ' A' ' 152' ' ' LEU . 0.5 OUTLIER -147.47 156.79 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 109.224 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -139.83 161.02 38.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 1.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.747 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.8 t80 -62.39 126.87 28.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.467 1.104 . . . . 1.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.2 t70 78.72 13.15 1.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 150' ' ' GLU . 3.1 tp10 -92.78 135.15 26.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 1.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.753 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.95 141.03 26.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.601 1.843 . . . . 1.0 111.006 179.932 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.814 HD13 ' HD2' ' A' ' 91' ' ' PHE . 49.7 mt -113.68 -75.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.928 HG22 HG23 ' A' ' 138' ' ' ILE . 10.6 t -126.46 146.58 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.956 HG13 ' CD1' ' A' ' 82' ' ' ILE . 68.8 t -106.33 126.03 62.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.507 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.2 mt -110.37 164.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.507 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 14.0 tt0 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 1.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.588 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 . . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.079 ' CD1' HG13 ' A' ' 154' ' ' VAL . 7.4 mm -93.29 123.15 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.232 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.899 HG21 ' CD2' ' A' ' 115' ' ' LEU . 57.4 t -84.23 116.36 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 1.0 109.266 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 36.1 mtm180 -107.45 123.04 47.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.718 ' CA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -47.49 105.82 0.53 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 110.021 -179.941 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.64 8.63 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 1.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 11.9 ptp -156.25 122.03 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 1.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.769 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.7 t -60.31 146.55 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.4 -119.2 0.97 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.567 1.167 . . . . 1.0 111.04 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 118' ' ' VAL . 26.1 m -128.34 168.62 15.28 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 0.79 . . . . 1.0 110.403 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.799 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.5 t80 -140.76 141.84 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 1.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 62.4 m-85 -135.13 156.71 48.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 1.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HD3' HG21 ' A' ' 138' ' ' ILE . 29.8 mmm-85 -103.32 -13.8 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 1.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.941 HG22 ' HA ' ' A' ' 101' ' ' ALA . 71.2 p -132.12 155.51 81.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 1.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -26.4 11.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 1.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.483 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -148.02 177.44 1.79 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.0 109.995 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.97 -45.87 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.411 1.742 . . . . 1.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.13 33.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 1.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -118.57 151.3 38.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -66.94 166.97 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.294 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.941 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -81.31 133.24 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.878 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.0 m-85 -53.93 -40.33 66.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 1.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.519 HD12 ' CG1' ' A' ' 109' ' ' VAL . 41.7 mm -133.12 131.14 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 66.8 tt0 -107.5 116.85 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 1.0 110.22 -179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.595 ' HA ' HG21 ' A' ' 135' ' ' VAL . 61.6 t -40.04 116.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.434 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.71 26.18 5.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 1.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -134.49 157.37 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 1.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 134' ' ' THR . 11.9 mtmm -99.11 169.85 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.519 ' CG1' HD12 ' A' ' 103' ' ' ILE . 18.0 m -151.28 147.71 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 111' ' ' VAL . 41.7 t30 -129.03 146.01 51.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -39.68 108.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 1.0 109.374 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.24 -14.76 5.37 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 1.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.78 132.7 42.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.459 0.74 . . . . 1.0 109.35 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.878 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.4 m -56.1 141.86 38.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 110.369 -179.903 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.899 ' CD2' HG21 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -110.22 -33.78 6.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 1.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.573 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.3 p 173.31 -173.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 1.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 3.7 mt -125.55 158.08 34.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 90' ' ' THR . 52.3 t -143.08 125.17 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 109.236 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -83.55 125.61 31.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.604 1.19 . . . . 1.0 110.306 179.899 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.484 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -172.09 175.88 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 1.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.484 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 24.0 ptm 42.31 46.7 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.43 51.8 2.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.35 170.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 1.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.26 132.62 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -122.83 95.29 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 1.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -72.02 154.94 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 1.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.8 mm -116.62 116.22 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 1.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' ALA . 10.2 tt0 -93.37 98.37 11.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.697 ' HA ' HD13 ' A' ' 115' ' ' LEU . . . 37.84 -142.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 1.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 129' ' ' ALA . 1.8 t0 154.52 -23.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 1.0 109.362 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.416 ' CD ' ' HB2' ' A' ' 81' ' ' HIS . 5.6 tttm -170.64 95.03 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 131' ' ' LYS . 32.8 t -38.15 138.09 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.975 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 172.07 -172.65 44.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 1.0 110.977 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 108' ' ' LYS . 15.2 m -112.57 166.16 11.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 1.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.595 HG21 ' HA ' ' A' ' 105' ' ' VAL . 4.3 p -53.9 165.28 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.688 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.4 OUTLIER -149.75 -46.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.77 132.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.767 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -98.64 132.01 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 1.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.675 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -103.36 -44.03 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.604 HG13 ' CE1' ' A' ' 91' ' ' PHE . 8.8 p -74.77 146.71 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 1.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.442 ' OE2' ' NE2' ' A' ' 144' ' ' GLN . 0.8 OUTLIER -101.56 160.1 14.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.0 110.255 -179.915 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 81.8 p -71.89 97.24 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 114.68 -5.47 22.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 1.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.442 ' NE2' ' OE2' ' A' ' 141' ' ' GLU . 0.0 OUTLIER -78.35 151.0 77.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 1.0 110.327 179.898 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.09 157.96 42.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 1.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.799 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.0 m -138.73 158.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.718 ' HA ' HG13 ' A' ' 88' ' ' VAL . 31.8 mt-10 -125.99 160.37 30.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 1.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.769 ' H ' HG22 ' A' ' 88' ' ' VAL . 25.7 t80 -65.71 130.19 42.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 1.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.9 t70 82.91 -5.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -81.57 144.9 53.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.0 110.305 -179.96 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.543 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.92 155.4 43.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.47 1.774 . . . . 1.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.718 HD11 ' CA ' ' A' ' 85' ' ' SER . 26.2 mt -127.88 -77.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.767 HG22 HG23 ' A' ' 138' ' ' ILE . 10.5 t -118.83 143.4 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 1.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 1.079 HG13 ' CD1' ' A' ' 82' ' ' ILE . 44.0 t -101.49 121.19 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.861 ' CD1' HD21 ' A' ' 115' ' ' LEU . 3.4 mt -112.82 163.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.409 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 1.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 mp -94.06 116.33 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.683 HG12 HD12 ' A' ' 152' ' ' LEU . 72.7 t -81.67 116.9 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -104.71 122.67 46.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 1.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.86 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -38.67 99.26 0.19 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.01 0.26 9.12 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.535 1.808 . . . . 1.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.5 tpp -158.71 111.44 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 1.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.798 HG13 ' HA ' ' A' ' 147' ' ' GLU . 11.5 t -53.6 138.86 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.25 -120.51 1.0 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.442 1.089 . . . . 1.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 91' ' ' PHE . 94.8 m -125.24 168.83 12.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 1.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.657 ' HB2' HG11 ' A' ' 146' ' ' VAL . 9.0 t80 -137.87 140.12 40.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 1.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.3 m-85 -135.33 146.86 48.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 1.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -95.08 -13.87 24.75 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.534 1.146 . . . . 1.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 101' ' ' ALA . 59.3 p -130.37 156.59 79.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 1.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -74.95 -48.18 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 1.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.52 179.08 1.25 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 110.013 179.977 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 149.94 37.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 71.72 6.5 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 1.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -104.29 136.43 43.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.263 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -51.86 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 1.0 109.226 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.908 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -97.87 132.61 43.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.827 ' CE1' HG21 ' A' ' 114' ' ' THR . 11.0 m-85 -49.03 -40.64 31.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.724 HD13 HG11 ' A' ' 109' ' ' VAL . 6.4 tp -128.34 92.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 1.0 109.262 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.29 112.31 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.244 -179.988 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.576 HG22 HD11 ' A' ' 138' ' ' ILE . 60.6 t -40.33 116.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.647 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 108.19 12.12 22.52 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 1.0 110.995 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -116.47 166.06 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 1.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.89 162.42 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.724 HG11 HD13 ' A' ' 103' ' ' ILE . 34.5 m -141.78 136.86 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.7 t-20 -117.01 149.21 40.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.31 109.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.75 -27.71 4.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.14 . . . . 1.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.18 138.78 38.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 0.768 . . . . 1.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.827 HG21 ' CE1' ' A' ' 102' ' ' PHE . 59.5 m -56.51 165.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 1.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 129' ' ' ALA . 0.2 OUTLIER -127.33 -43.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.566 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -178.64 -158.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 108.362 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.545 HG22 ' CE ' ' A' ' 124' ' ' MET . 4.6 mt -143.54 152.53 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.689 ' CG2' HD11 ' A' ' 127' ' ' ILE . 47.4 t -136.18 127.99 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.216 179.936 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.419 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.2 tt0 -88.39 128.61 35.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 1.0 110.294 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -171.04 167.24 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 4.2 ptm 42.64 45.01 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.6 51.84 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.59 155.47 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 1.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.545 ' CE ' HG22 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -89.29 131.83 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 1.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -124.83 108.77 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 1.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.605 ' CG ' HG23 ' A' ' 114' ' ' THR . 7.8 tt0 -77.18 150.27 35.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 1.0 110.268 -179.94 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.689 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.4 mt -109.49 117.23 54.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 1.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -94.19 124.57 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.887 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -41.89 137.19 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 1.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.6 16.27 7.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 1.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -168.75 85.54 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 12.0 m -39.22 132.94 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 1.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.99 -173.3 39.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 1.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 94.4 m -116.6 155.27 29.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 1.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.647 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.3 p -47.91 160.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.8 ttpp -145.07 -47.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 1.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.0 133.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -104.97 118.2 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 109.315 -179.95 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.739 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -86.5 -44.36 12.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.648 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.1 p -81.49 151.78 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 1.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -107.94 174.17 6.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 1.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.429 ' N ' ' OE1' ' A' ' 141' ' ' GLU . 11.3 t -79.13 92.52 5.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 1.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.05 -21.71 6.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 1.0 110.983 179.925 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 150.2 84.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.514 0.773 . . . . 1.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -74.94 170.16 21.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.42 1.748 . . . . 1.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.657 HG11 ' HB2' ' A' ' 91' ' ' PHE . 35.8 m -148.93 158.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.798 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.7 mt-10 -139.47 160.93 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.76 ' H ' HG22 ' A' ' 88' ' ' VAL . 9.9 t80 -63.21 133.97 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 1.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.56 -6.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 1.0 109.266 179.973 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 0.6 OUTLIER -86.12 142.61 36.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.319 -179.95 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.726 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.7 Cg_endo -74.92 158.18 42.67 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.515 1.797 . . . . 1.0 111.069 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.86 HD11 ' HA ' ' A' ' 85' ' ' SER . 81.3 mt -125.09 -81.91 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.588 1.18 . . . . 1.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 138' ' ' ILE . 11.1 t -126.74 139.0 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.679 HG23 HD21 ' A' ' 139' ' ' LEU . 48.0 t -98.58 125.32 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.8 mp -115.7 163.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 26.5 tt0 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 1.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.511 ' CG ' ' HD2' ' A' ' 131' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 . . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.431 HG13 HG13 ' A' ' 154' ' ' VAL . 4.0 mp -138.88 116.04 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.913 HG21 HD23 ' A' ' 115' ' ' LEU . 38.8 t -77.32 117.89 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.076 . . . . 1.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -107.96 127.0 53.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 1.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.845 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -42.53 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 1.0 109.978 -179.985 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 0.59 8.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.782 . . . . 1.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -168.38 126.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 1.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.848 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.7 t -58.18 139.06 18.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.14 -127.42 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 143' ' ' GLY . 88.8 m -126.37 162.91 24.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 1.0 110.391 -179.929 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.736 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -133.94 134.32 42.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 1.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 53.6 m-85 -127.68 151.59 48.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 1.0 111.082 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.422 ' CZ ' HG21 ' A' ' 138' ' ' ILE . 28.6 mmm-85 -99.35 -13.6 19.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 1.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.911 HG22 ' HA ' ' A' ' 101' ' ' ALA . 30.9 p -135.98 155.6 77.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 1.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -28.99 8.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.527 1.804 . . . . 1.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.4 178.7 1.35 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.992 -179.981 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.05 -40.11 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.455 1.766 . . . . 1.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.27 36.35 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -120.42 152.53 37.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 1.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -68.28 168.36 12.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.911 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -80.71 133.09 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.72 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 15.9 m-85 -53.41 -39.96 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 tt -129.36 119.83 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 28.8 tt0 -93.38 109.19 20.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 110.359 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.407 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.3 t -40.23 115.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.558 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 100.69 31.69 5.67 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.442 1.089 . . . . 1.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.84 165.63 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 0.72 . . . . 1.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 118.74 37.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.08 . . . . 1.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 132' ' ' SER . 30.7 m -114.98 137.05 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 1.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.407 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 4.7 p30 -118.52 146.79 44.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.68 HG23 ' HA ' ' A' ' 130' ' ' ASP . 2.6 p -40.23 109.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 1.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.44 -11.49 6.06 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.73 136.68 34.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 1.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.588 HG21 ' CE1' ' A' ' 102' ' ' PHE . 22.0 m -57.91 143.58 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.045 HD13 ' HB2' ' A' ' 129' ' ' ALA . 2.1 tp -112.02 -30.85 7.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.759 ' O ' HD13 ' A' ' 117' ' ' ILE . 23.8 p 177.91 -169.9 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 1.0 108.233 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 116' ' ' CYS . 24.8 mm -129.03 154.59 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 -179.931 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.83 ' CG2' HD11 ' A' ' 127' ' ' ILE . 41.5 t -134.18 127.28 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -101.58 135.53 42.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 1.0 110.351 179.941 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -130.43 -175.86 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.18 91.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 1.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 44.35 47.98 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.58 114.09 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 110.985 179.906 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.3 ttt -83.78 143.39 30.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 1.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 117' ' ' ILE . 8.1 m120 -138.93 155.05 48.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.617 ' CG ' HD12 ' A' ' 117' ' ' ILE . 0.3 OUTLIER -122.76 144.66 49.03 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.489 1.118 . . . . 1.0 110.296 -179.944 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.83 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.4 mt -104.42 116.84 48.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 1.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -101.1 113.23 26.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 1.045 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.42 132.87 1.99 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.68 ' HA ' HG23 ' A' ' 111' ' ' VAL . 33.3 t70 -114.83 13.62 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 1.0 109.275 -179.934 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.511 ' HD2' ' CG ' ' A' ' 81' ' ' HIS . 8.0 pttm -165.65 97.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 2.0 m -39.06 154.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 1.0 110.008 179.919 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.8 -172.91 41.04 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 1.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.754 ' O ' HG12 ' A' ' 135' ' ' VAL . 4.0 m -135.36 58.69 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 1.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 134' ' ' THR . 6.8 p 50.56 177.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.47 1.106 . . . . 1.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.688 ' H ' HG22 ' A' ' 135' ' ' VAL . 4.9 tttt -166.0 -50.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.08 132.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 1.018 HG23 HG22 ' A' ' 153' ' ' VAL . 1.3 mm -98.28 135.02 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -105.16 -44.54 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 1.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.653 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.5 p -80.64 148.94 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.6 164.14 12.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 1.0 110.339 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.26 103.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.037 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.99 -29.52 7.68 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 1.0 110.993 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 8.6 tt0 -52.32 140.7 33.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 1.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.4 Cg_endo -74.93 160.48 40.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 1.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.736 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.1 m -139.9 159.49 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.371 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.678 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.1 tt0 -131.53 161.63 32.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.848 ' H ' HG22 ' A' ' 88' ' ' VAL . 21.9 t80 -64.52 130.94 45.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 1.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.2 t70 83.97 0.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 1.0 109.348 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.474 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 10.8 mm-40 -90.0 149.93 42.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 1.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.64 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.1 Cg_endo -74.99 158.67 42.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.56 1.821 . . . . 1.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.845 HD11 ' HA ' ' A' ' 85' ' ' SER . 98.3 mt -131.64 -81.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 1.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 1.018 HG22 HG23 ' A' ' 138' ' ' ILE . 79.3 t -124.69 151.43 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.448 HG12 ' CD ' ' A' ' 136' ' ' LYS . 40.6 t -114.94 124.32 71.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 156' ' ' GLU . 5.2 mp -116.15 167.1 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 1.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.53 ' N ' HG22 ' A' ' 155' ' ' ILE . 6.7 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 110.367 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.752 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.651 -0.5 . . . . 1.0 109.651 . . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.969 ' CD1' HG13 ' A' ' 154' ' ' VAL . 7.7 mm -96.18 123.41 48.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 1.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.781 HG21 HD23 ' A' ' 115' ' ' LEU . 47.8 t -85.93 116.4 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 1.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 20.9 mtt180 -118.18 123.66 46.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 1.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.46 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -51.86 107.25 0.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.7 8.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 1.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.5 tpp -163.56 125.02 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.759 HG22 ' HA ' ' A' ' 147' ' ' GLU . 17.7 t -46.85 150.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 1.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.543 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 161.06 -134.51 3.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 143' ' ' GLY . 52.5 m -138.66 126.0 21.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 1.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.659 ' CD2' HG11 ' A' ' 140' ' ' VAL . 6.0 t80 -89.26 135.0 33.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 1.0 111.056 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.527 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 42.2 m-85 -133.37 142.62 48.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 103' ' ' ILE . 10.3 mmm180 -91.0 -16.03 28.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.918 HG22 ' HA ' ' A' ' 101' ' ' ALA . 63.4 p -129.75 156.36 78.98 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.533 1.146 . . . . 1.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.97 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 1.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.59 179.09 1.25 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 1.0 109.995 -179.952 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.99 150.93 38.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.476 1.777 . . . . 1.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 t0 70.49 7.61 6.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 1.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -105.27 136.74 44.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 1.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -51.87 -176.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.918 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -98.58 132.47 43.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 1.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.883 ' CE1' HG21 ' A' ' 114' ' ' THR . 6.1 m-85 -47.79 -42.78 26.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 1.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 115' ' ' LEU . 4.8 pt -131.92 120.97 45.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 1.0 109.377 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -99.27 118.0 34.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.639 HG22 HD11 ' A' ' 138' ' ' ILE . 61.9 t -40.29 116.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.634 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 112.04 15.89 9.56 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.52 1.137 . . . . 1.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -121.89 159.92 25.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 1.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.45 163.37 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.648 HG21 HD11 ' A' ' 115' ' ' LEU . 21.9 m -141.83 131.29 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -117.22 150.04 39.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 1.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.6 t -40.59 111.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.38 16.96 6.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.442 1.089 . . . . 1.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.12 133.65 55.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.883 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.8 m -63.36 141.74 58.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 1.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.01 HD21 ' CD1' ' A' ' 155' ' ' ILE . 1.5 tp -113.69 -31.53 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 1.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.605 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 30.8 p -178.99 -164.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 1.0 108.324 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.49 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.6 mt -137.94 153.22 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 1.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.54 117.33 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 1.0 109.244 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -99.02 131.31 45.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 1.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.458 ' O ' ' CG ' ' A' ' 123' ' ' MET . . . -163.98 160.61 22.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 52.89 19.36 1.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 1.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.23 42.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 1.0 109.238 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -156.86 150.78 24.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ptp -91.49 141.46 28.71 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 1.108 . . . . 1.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -139.48 99.74 3.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 1.0 109.307 -179.96 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.777 ' CG ' HG23 ' A' ' 114' ' ' THR . 21.1 tt0 -63.56 146.46 53.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 1.0 110.226 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.6 mm -108.74 115.89 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 1.0 109.237 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -91.25 132.07 36.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 1.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -42.01 133.17 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 1.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -117.63 15.89 14.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 81' ' ' HIS . 11.1 tmtt? -174.71 85.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 42.9 t -39.39 137.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 179.29 -173.31 45.34 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.0 m -113.8 148.88 35.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 0.731 . . . . 1.0 110.44 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.634 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.4 p -40.52 157.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.572 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -142.58 -47.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 1.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.98 133.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.839 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -100.35 121.38 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 1.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 1.035 HD21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -90.93 -44.25 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.25 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.659 HG11 ' CD2' ' A' ' 91' ' ' PHE . 12.0 p -74.79 152.8 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 1.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -115.44 130.35 56.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 1.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.8 t -38.99 96.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 1.0 110.108 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 90' ' ' THR . . . 129.99 -40.86 1.61 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.47 1.107 . . . . 1.0 111.034 -179.897 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 141' ' ' GLU . 76.2 mt-30 -47.37 148.1 2.46 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.466 0.745 . . . . 1.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -74.99 174.73 12.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.497 1.788 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.756 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.3 m -139.75 158.74 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 1.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.759 ' HA ' HG22 ' A' ' 88' ' ' VAL . 2.6 tt0 -136.98 172.38 13.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 1.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 27.3 t80 -69.62 113.91 7.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 1.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.1 t70 82.94 9.66 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -78.42 148.9 74.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 1.0 110.2 -179.91 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.729 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.95 154.27 42.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 1.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 91' ' ' PHE . 96.6 mt -134.21 -81.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 1.0 109.391 179.955 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.839 HG22 HG23 ' A' ' 138' ' ' ILE . 11.3 t -129.19 152.6 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 1.0 109.378 179.91 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 1.035 HG23 HD21 ' A' ' 139' ' ' LEU . 57.6 t -111.02 132.89 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 1.01 ' CD1' HD21 ' A' ' 115' ' ' LEU . 5.2 mt -124.67 164.1 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.5 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.531 HG13 HG13 ' A' ' 154' ' ' VAL . 2.0 mt -89.67 133.24 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.6 t -91.6 141.44 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 1.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -120.95 123.74 43.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 1.0 110.29 -179.929 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.725 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -41.72 101.47 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 1.0 110.011 -179.961 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 0.34 9.03 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.427 1.751 . . . . 1.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.778 ' CG ' HG11 ' A' ' 118' ' ' VAL . 11.1 ptm -156.5 126.75 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 1.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 148' ' ' PHE . 22.0 t -68.41 138.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.88 -122.94 1.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.559 1.162 . . . . 1.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 91' ' ' PHE . 52.9 m -126.3 168.78 13.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 0.815 . . . . 1.0 110.438 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.719 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.3 t80 -136.74 141.26 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 1.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.556 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.8 m-85 -136.28 150.9 49.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 1.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.548 ' NH1' ' CG2' ' A' ' 103' ' ' ILE . 12.4 mmm180 -98.35 -13.73 20.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 1.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.855 HG22 ' HA ' ' A' ' 101' ' ' ALA . 23.6 p -136.3 155.69 77.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 1.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.418 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.5 Cg_endo -74.98 -51.98 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.761 . . . . 1.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.52 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -137.01 178.76 1.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 110.052 -179.986 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 151.14 39.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 1.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 65.04 12.27 7.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 1.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -101.94 145.87 28.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 1.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 168.68 1.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.855 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.81 133.12 37.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 1.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.796 ' CD1' HG21 ' A' ' 114' ' ' THR . 29.1 m-85 -54.96 -37.94 67.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.548 ' CG2' ' NH1' ' A' ' 93' ' ' ARG . 19.9 tt -130.18 101.82 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -90.17 115.51 27.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 1.0 110.367 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.684 HG22 HD11 ' A' ' 138' ' ' ILE . 89.6 t -40.69 116.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 1.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.727 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.61 22.28 8.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 1.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.78 157.93 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 1.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -106.24 153.47 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 132' ' ' SER . 34.6 m -133.17 134.52 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.478 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 15.4 p30 -117.75 151.0 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.07 109.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.17 -31.69 3.98 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.538 1.149 . . . . 1.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 129' ' ' ALA . 0.5 OUTLIER -74.77 137.37 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 1.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.796 HG21 ' CD1' ' A' ' 102' ' ' PHE . 89.8 m -54.95 175.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 110.395 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' ' 129' ' ' ALA . 2.6 tp -136.76 -46.42 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -177.96 -157.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 108.28 179.93 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.598 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -141.34 155.49 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.778 HG11 ' CG ' ' A' ' 87' ' ' MET . 6.8 t -141.2 130.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.2 tt0 -88.5 134.63 33.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -176.2 169.45 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.602 1.189 . . . . 1.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.493 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 17.7 ptp 42.52 46.29 4.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 1.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.3 tttp 41.36 51.78 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 1.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.0 156.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -77.52 143.2 38.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 1.0 111.022 179.904 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -135.5 99.45 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.358 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -67.52 154.7 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.7 mm -117.83 115.82 49.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.367 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.98 139.48 31.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 1.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.635 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -58.22 133.16 55.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -122.88 16.22 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 1.0 109.237 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.68 91.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.555 1.159 . . . . 1.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.478 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 79.3 p -39.19 134.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 1.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.42 -172.79 33.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.44 1.088 . . . . 1.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 27.6 m -127.78 146.97 50.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 1.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.727 HG11 ' H ' ' A' ' 106' ' ' GLY . 11.7 p -42.0 161.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.605 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -151.73 -46.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.9 132.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.812 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -104.47 130.4 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.652 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -99.67 -46.06 5.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 1.0 109.284 -179.925 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.628 HG13 ' CE1' ' A' ' 91' ' ' PHE . 13.9 p -80.73 138.11 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 1.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.465 ' HG2' ' CG ' ' A' ' 144' ' ' GLN . 10.0 pt-20 -99.03 178.38 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 110.219 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.5 p -78.08 93.5 4.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 1.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.556 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.17 -31.52 3.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 1.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.465 ' CG ' ' HG2' ' A' ' 141' ' ' GLU . 0.6 OUTLIER -52.93 148.76 13.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 1.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.0 Cg_endo -75.08 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 1.0 110.974 -179.888 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.719 HG11 ' HB2' ' A' ' 91' ' ' PHE . 20.8 m -151.63 157.98 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 1.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.524 ' CD ' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -148.62 156.37 42.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 1.0 110.319 179.917 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.794 ' H ' HG22 ' A' ' 88' ' ' VAL . 11.3 t80 -59.85 137.64 58.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.45 -5.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.226 179.962 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.458 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 40.1 mm-40 -90.2 146.03 34.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 1.0 110.29 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.652 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.04 156.7 42.82 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 1.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.725 HD11 ' HA ' ' A' ' 85' ' ' SER . 26.2 mt -123.04 -81.75 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.812 HG22 HG23 ' A' ' 138' ' ' ILE . 48.4 t -124.44 137.72 56.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 1.0 109.296 -179.929 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.605 HG12 ' HB3' ' A' ' 136' ' ' LYS . 57.4 t -95.0 116.48 36.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 1.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 11.2 mm -107.43 163.69 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.371 179.924 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.493 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.8 tt0 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.191 . . . . 1.0 110.322 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.48 ' N ' ' ND1' ' A' ' 81' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 . . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.953 HG13 HG13 ' A' ' 154' ' ' VAL . 2.8 mp -85.86 116.05 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -87.8 122.89 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 1.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' SER . 49.5 mtt180 -98.43 132.2 44.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 1.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.67 ' HA ' HD11 ' A' ' 152' ' ' LEU . 8.8 p -38.45 103.32 0.27 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 1.0 110.036 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.27 9.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 1.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 131.18 6.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.579 1.174 . . . . 1.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.905 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.6 t -71.16 139.33 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.72 -117.51 0.82 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 1.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.465 ' O ' HG13 ' A' ' 118' ' ' VAL . 73.7 m -129.18 167.82 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 1.0 110.404 -179.932 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.715 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.9 t80 -137.56 137.99 39.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -129.46 155.95 44.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 1.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' HD3' HG21 ' A' ' 138' ' ' ILE . 18.8 mmm180 -103.25 -13.59 16.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.802 HG22 ' HA ' ' A' ' 101' ' ' ALA . 29.0 p -126.82 155.56 75.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 1.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.471 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 18.2 Cg_endo -74.97 -33.2 4.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.557 1.82 . . . . 1.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.87 172.34 7.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 109.985 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.72 14.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.468 1.773 . . . . 1.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -121.65 63.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 1.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -153.12 146.95 25.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 1.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.97 167.94 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 1.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.802 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -69.75 132.39 46.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.864 ' CE1' HG21 ' A' ' 114' ' ' THR . 3.1 m-85 -40.4 -45.46 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 1.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.712 HD11 ' O ' ' A' ' 114' ' ' THR . 1.2 mp -130.19 163.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 1.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.503 ' N ' ' CG2' ' A' ' 103' ' ' ILE . 20.6 pt-20 -123.85 115.21 20.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.604 1.19 . . . . 1.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.653 ' CG2' HD11 ' A' ' 138' ' ' ILE . 62.9 t -40.24 115.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 1.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.559 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.53 25.55 5.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.551 1.157 . . . . 1.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.53 164.02 15.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 0.753 . . . . 1.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.593 ' HG3' HG22 ' A' ' 134' ' ' THR . 1.9 mptp? -101.73 114.79 29.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 1.0 109.232 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 132' ' ' SER . 18.9 m -107.7 136.91 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -129.63 152.47 49.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.2 t -40.36 109.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 1.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.04 -23.83 4.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.088 . . . . 1.0 111.02 -179.941 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.91 136.98 32.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 0.803 . . . . 1.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.864 HG21 ' CE1' ' A' ' 102' ' ' PHE . 92.2 m -59.2 174.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.509 ' H ' HG22 ' A' ' 114' ' ' THR . 3.5 tp -136.14 -46.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.627 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p -178.5 -173.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 108.301 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 95' ' ' PRO . 3.3 mt -125.51 161.57 29.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 1.0 109.227 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 90' ' ' THR . 40.2 t -144.33 124.6 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 1.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.406 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 2.6 tt0 -82.08 126.87 32.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -173.1 170.83 4.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 1.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 22.9 ptm 42.45 46.15 4.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? 40.84 51.75 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 1.0 109.292 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -176.02 161.0 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 1.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.03 127.81 36.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -115.79 124.86 51.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -88.53 145.58 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 1.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.422 HD11 HG21 ' A' ' 118' ' ' VAL . 3.8 mt -114.58 115.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.25 138.86 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.88 133.14 5.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -113.14 14.65 19.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 1.0 109.253 -179.923 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.34 105.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.353 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 45.6 t -39.29 154.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 1.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -177.34 -172.58 42.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.748 ' O ' HG12 ' A' ' 135' ' ' VAL . 1.8 p -134.07 55.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 1.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.748 HG12 ' O ' ' A' ' 134' ' ' THR . 5.8 p 50.49 179.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.72 ' H ' HG22 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -163.41 -49.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.86 133.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.895 HG23 HG22 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -97.38 132.99 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 1.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.24 -43.93 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 1.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.597 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.9 p -68.86 156.17 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.629 1.206 . . . . 1.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.407 ' HB2' ' NE2' ' A' ' 144' ' ' GLN . 2.3 mt-10 -110.49 155.84 21.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 1.0 110.231 -179.945 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.9 p -70.44 93.64 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 1.0 109.986 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 90' ' ' THR . . . 122.44 -22.84 7.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 1.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.462 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -62.27 151.64 81.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.749 . . . . 1.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -75.04 163.57 35.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 1.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 91' ' ' PHE . 18.8 m -143.1 157.34 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 1.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.585 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.1 tt0 -139.92 138.85 35.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 1.0 110.291 -179.919 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.905 ' H ' HG22 ' A' ' 88' ' ' VAL . 2.6 t80 -50.53 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 1.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 1.1 p30 150.65 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 1.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.442 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 9.0 mm-40 -64.39 141.42 98.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.05 41.36 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.49 1.784 . . . . 1.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.67 HD11 ' HA ' ' A' ' 85' ' ' SER . 94.9 mt -105.3 -78.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.895 HG22 HG23 ' A' ' 138' ' ' ILE . 3.5 t -130.44 139.81 50.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.953 HG13 HG13 ' A' ' 82' ' ' ILE . 6.3 t -96.94 127.14 49.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.472 ' CG2' ' HA3' ' A' ' 133' ' ' GLY . 4.5 mp -110.25 163.4 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.439 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 1.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.481 ' CB ' ' NZ ' ' A' ' 131' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.626 -0.509 . . . . 1.0 109.626 . . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.829 ' CD1' HG13 ' A' ' 154' ' ' VAL . 18.3 mm -140.91 115.92 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 1.0 109.373 179.912 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG12 HD12 ' A' ' 152' ' ' LEU . 63.5 t -79.23 116.43 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 1.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 7.2 mtp85 -113.72 121.86 45.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.43 ' OG ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -52.7 107.67 0.9 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.383 1.052 . . . . 1.0 109.945 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.55 8.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 1.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.16 128.25 9.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 1.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.646 HG22 ' H ' ' A' ' 148' ' ' PHE . 43.6 t -60.07 151.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.481 ' C ' HG22 ' A' ' 146' ' ' VAL . . . 153.35 -113.7 0.59 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.514 1.134 . . . . 1.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 144' ' ' GLN . 24.2 m -146.81 162.6 38.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 1.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.613 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.4 t80 -126.99 138.12 53.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 1.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 47.9 m-85 -134.32 148.18 50.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 1.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 142' ' ' SER . 11.6 mmm-85 -94.81 -17.48 22.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 1.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.979 HG22 ' HA ' ' A' ' 101' ' ' ALA . 45.8 p -136.44 155.51 77.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 1.0 110.33 -179.921 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.4 Cg_endo -74.97 -10.89 21.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.599 1.841 . . . . 1.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -163.84 173.96 3.72 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 1.0 109.949 -179.995 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 -35.07 3.37 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.423 1.749 . . . . 1.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.92 34.04 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -119.04 152.79 35.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 1.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -54.51 179.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 1.0 109.226 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.979 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -108.44 134.9 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.993 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 41.3 m-85 -65.52 -35.83 82.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 1.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 103' ' ' ILE . 18.8 tt -140.07 104.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 1.0 109.372 179.927 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.618 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 1.8 mt-10 -94.82 117.55 30.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 1.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.27 116.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.683 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.52 21.7 7.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.102 . . . . 1.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.07 160.24 33.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 1.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 160.33 15.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.7 m -138.99 144.58 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 5.2 m120 -117.6 145.09 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 1.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.684 HG23 ' H ' ' A' ' 132' ' ' SER . 3.2 t -40.05 108.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 1.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.03 -11.24 10.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 1.0 111.06 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.39 138.55 31.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 1.0 109.363 179.924 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.844 HG21 ' CD1' ' A' ' 102' ' ' PHE . 62.0 m -61.81 142.77 57.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 110.34 -179.917 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.027 HD21 HG22 ' A' ' 127' ' ' ILE . 1.7 pp -112.52 -32.88 6.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 1.0 109.226 -179.934 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.858 ' O ' HD13 ' A' ' 117' ' ' ILE . 14.7 p -178.88 -157.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 1.0 108.289 -179.954 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.993 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mm -137.9 160.41 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 1.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.489 ' CG2' HD11 ' A' ' 127' ' ' ILE . 58.4 t -143.04 116.9 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -86.35 126.16 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -165.75 162.42 18.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 1.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 48.23 34.6 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.96 47.02 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.6 mtt -164.8 153.03 12.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.5 ttm -78.96 128.23 33.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -122.29 94.55 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.649 ' CG ' HD12 ' A' ' 117' ' ' ILE . 1.6 mt-30 -65.34 147.54 53.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 1.027 HG22 HD21 ' A' ' 115' ' ' LEU . 5.0 mm -109.49 116.17 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.65 125.84 41.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.063 . . . . 1.0 110.278 -179.928 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.521 ' N ' HD23 ' A' ' 115' ' ' LEU . . . -51.63 133.07 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 1.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -115.65 14.47 16.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 1.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.481 ' NZ ' ' CB ' ' A' ' 81' ' ' HIS . 9.2 pttp -163.19 87.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.684 ' H ' HG23 ' A' ' 111' ' ' VAL . 7.8 m -39.3 134.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 1.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.18 -173.27 40.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 1.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 t -119.23 149.3 41.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 0.726 . . . . 1.0 110.472 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.683 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.5 p -40.31 157.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -142.66 -47.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.26 132.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 109.264 179.95 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.903 HG23 HG22 ' A' ' 153' ' ' VAL . 1.8 mt -103.02 134.84 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 1.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -107.07 -46.12 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 1.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.0 p -67.65 149.0 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 1.0 109.372 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 142' ' ' SER . 5.6 tt0 -113.36 121.09 43.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 1.0 110.347 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.467 ' HB3' ' CG ' ' A' ' 93' ' ' ARG . 15.8 p -39.28 101.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 1.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.43 -35.68 2.75 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.472 1.107 . . . . 1.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 90' ' ' THR . 1.4 mp0 -58.63 151.53 51.35 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.545 0.791 . . . . 1.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.0 162.9 36.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 1.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.613 HG11 ' HB2' ' A' ' 91' ' ' PHE . 6.2 m -128.26 156.97 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 179.929 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.516 ' HA ' HG22 ' A' ' 88' ' ' VAL . 3.9 tt0 -134.78 157.59 46.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.646 ' H ' HG22 ' A' ' 88' ' ' VAL . 27.4 t80 -62.92 124.35 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 1.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.1 t70 81.5 13.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 4.3 tt0 -95.47 142.1 24.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -75.07 161.29 38.81 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.476 1.777 . . . . 1.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.483 HD12 HG12 ' A' ' 83' ' ' VAL . 71.5 mt -132.61 -81.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.285 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.903 HG22 HG23 ' A' ' 138' ' ' ILE . 9.6 t -122.6 147.57 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.829 HG13 ' CD1' ' A' ' 82' ' ' ILE . 61.9 t -104.19 130.22 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 1.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.1 mp -114.56 163.85 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 1.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.618 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 4.5 m-70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.583 -0.525 . . . . 1.0 109.583 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.94 ' CD1' HG13 ' A' ' 154' ' ' VAL . 18.6 mm -142.09 115.76 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 1.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.68 HG21 HD23 ' A' ' 115' ' ' LEU . 58.3 t -86.32 116.33 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.137 . . . . 1.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -116.75 127.33 54.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 1.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.43 105.0 0.44 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 1.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.64 118.05 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 1.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.799 HG22 ' H ' ' A' ' 148' ' ' PHE . 15.7 t -52.88 138.54 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 1.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.67 -118.97 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 1.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.479 ' O ' HG13 ' A' ' 118' ' ' VAL . 95.8 m -134.33 164.36 27.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 1.0 110.426 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.807 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -136.08 135.17 39.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.476 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 48.9 m-85 -125.41 155.23 40.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 1.0 111.015 179.927 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 5.8 mmm180 -102.88 -14.76 16.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 1.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.999 HG22 ' HA ' ' A' ' 101' ' ' ALA . 64.3 p -134.78 155.89 79.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 1.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.88 18.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 1.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -153.91 178.38 1.63 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.977 179.99 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.03 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.474 1.776 . . . . 1.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.23 23.7 4.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 1.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.46 160.06 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 109.336 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 165.41 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.999 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -81.62 134.88 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 1.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.993 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 14.8 m-85 -55.98 -40.13 72.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 1.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.57 HG21 ' HA ' ' A' ' 115' ' ' LEU . 1.5 pp -135.6 115.55 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -90.75 114.58 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 1.0 110.235 -179.953 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.412 HG22 HD11 ' A' ' 138' ' ' ILE . 54.8 t -40.09 116.13 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.624 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.43 15.39 12.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.383 1.052 . . . . 1.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -115.57 162.0 17.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 1.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.545 ' O ' ' NE2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -102.01 150.78 22.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 1.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 133' ' ' GLY . 27.7 m -130.1 134.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 1.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.6 t-20 -117.8 146.55 43.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 109.359 -179.959 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.42 -13.13 8.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 1.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.28 137.24 32.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 0.793 . . . . 1.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.483 HG21 ' CE1' ' A' ' 102' ' ' PHE . 9.2 m -66.37 144.9 56.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 1.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.68 HD23 HG21 ' A' ' 83' ' ' VAL . 1.4 tp -111.42 -30.28 7.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.06 . . . . 1.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.729 ' O ' HD13 ' A' ' 117' ' ' ILE . 1.3 p 172.49 -173.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 1.0 108.279 -179.962 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.993 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 7.0 mm -123.44 159.66 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 1.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 90' ' ' THR . 39.0 t -145.6 120.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -81.32 127.28 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.512 ' HB3' ' ND2' ' A' ' 125' ' ' ASN . . . -175.46 173.29 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 1.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.3 ptp 42.43 46.0 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 1.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.66 51.88 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 1.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.95 163.95 1.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.172 . . . . 1.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.465 ' CG ' ' O ' ' A' ' 124' ' ' MET . 2.2 ptt? -84.54 122.15 28.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 1.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' A' ' 120' ' ' ALA . 23.1 m-80 -107.92 102.37 11.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.57 ' HG3' HD12 ' A' ' 117' ' ' ILE . 3.1 mp0 -76.33 137.66 39.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 1.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.0 mm -100.5 116.99 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.302 -179.933 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -104.08 127.87 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.393 1.058 . . . . 1.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.71 133.13 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 1.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.59 18.37 18.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.618 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -178.81 95.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 1.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 3.3 m -39.4 141.62 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 1.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.42 ' O ' HG22 ' A' ' 109' ' ' VAL . . . -174.9 -173.1 40.45 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.466 1.104 . . . . 1.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 60.9 p -118.1 144.47 45.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 1.0 110.364 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.624 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.0 p -40.84 159.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 1.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -141.9 -49.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.2 137.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 1.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.911 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -99.53 119.23 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 1.025 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -88.23 -43.84 11.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 1.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.648 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.4 p -80.12 166.71 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.2 OUTLIER -118.87 171.26 8.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 1.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -80.34 100.8 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 110.007 179.962 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.476 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 115.63 -32.75 5.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 1.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.21 150.44 5.96 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.488 0.758 . . . . 1.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 165.06 32.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 1.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.807 HG11 ' HB2' ' A' ' 91' ' ' PHE . 33.7 m -142.5 158.13 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.674 ' HA ' HG13 ' A' ' 88' ' ' VAL . 9.0 mt-10 -133.61 165.78 24.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.799 ' H ' HG22 ' A' ' 88' ' ' VAL . 35.5 t80 -63.2 134.13 55.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 1.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.9 t70 75.07 3.5 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 1.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.2 tp10 -83.81 136.47 41.76 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.876 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.02 151.73 39.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.491 1.785 . . . . 1.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.771 HD13 ' HD2' ' A' ' 91' ' ' PHE . 49.8 mt -121.68 -76.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.911 HG22 HG23 ' A' ' 138' ' ' ILE . 7.3 t -125.41 155.27 34.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 1.025 HG23 HD21 ' A' ' 139' ' ' LEU . 47.9 t -114.06 127.71 71.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.7 mp -112.34 163.82 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.465 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 1.0 110.344 -179.991 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 . . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.949 HD12 HG22 ' A' ' 154' ' ' VAL . 47.7 mm -112.85 115.92 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.859 HG21 HD23 ' A' ' 115' ' ' LEU . 41.2 t -75.82 116.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 1.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 22.3 mtt-85 -115.63 127.46 55.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 1.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.411 ' CA ' HD11 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -55.1 108.79 1.27 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 110.0 -179.99 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 0.92 8.36 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.549 1.815 . . . . 1.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.37 127.53 6.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.647 HG22 ' HA ' ' A' ' 147' ' ' GLU . 23.2 t -56.32 150.75 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.506 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 154.58 -121.29 1.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 1.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 33.0 m -137.25 166.62 23.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 0.72 . . . . 1.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.582 ' CE2' HG11 ' A' ' 140' ' ' VAL . 3.5 t80 -134.93 138.35 43.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 1.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 64.7 m-85 -135.71 149.55 49.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.431 ' HD3' HG21 ' A' ' 138' ' ' ILE . 22.4 mmm-85 -97.13 -13.79 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.966 HG22 ' HA ' ' A' ' 101' ' ' ALA . 55.3 p -134.39 155.4 79.81 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 1.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -75.01 -26.94 10.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.436 1.756 . . . . 1.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.04 178.59 1.42 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 1.0 109.938 -179.957 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.94 -47.95 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.396 1.735 . . . . 1.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -99.4 40.66 1.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 1.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -120.51 150.9 40.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 1.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -57.93 171.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 1.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.966 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -95.11 134.56 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.702 ' CE1' HG21 ' A' ' 114' ' ' THR . 16.5 m-85 -56.75 -39.75 74.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.453 1.095 . . . . 1.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.834 HD11 HG11 ' A' ' 109' ' ' VAL . 6.2 mt -136.59 108.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 109.24 -179.945 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' VAL . 7.4 mt-10 -89.42 115.57 26.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 138' ' ' ILE . 55.3 t -39.59 115.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 1.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.53 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.65 16.16 8.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.575 1.172 . . . . 1.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -121.64 171.12 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 1.0 110.279 -179.946 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -113.53 159.69 19.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 1.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 103' ' ' ILE . 26.8 m -139.42 150.6 22.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.447 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 7.2 p30 -126.63 145.88 50.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 1.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 1.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.32 -22.29 7.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 1.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 133.68 36.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.788 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.704 HG23 ' HG3' ' A' ' 126' ' ' GLN . 31.4 m -56.63 142.95 37.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 1.0 110.431 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.977 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.1 tp -112.52 -31.62 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 1.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.528 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.2 p 175.36 -172.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 1.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.434 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.2 mt -121.09 158.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.471 HG23 HG13 ' A' ' 127' ' ' ILE . 43.2 t -139.14 121.51 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 1.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 2.9 tt0 -85.07 128.13 34.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -169.01 166.22 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.504 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.6 ptp 42.72 44.03 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.81 51.83 6.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 1.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.13 153.67 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.63 138.76 41.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 1.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -132.58 96.87 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.704 ' HG3' HG23 ' A' ' 114' ' ' THR . 29.0 tt0 -63.85 152.38 39.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 1.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.471 HG13 HG23 ' A' ' 118' ' ' VAL . 3.7 mm -116.67 115.83 50.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 1.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.07 125.63 36.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 1.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.977 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -52.94 133.0 38.22 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.544 1.153 . . . . 1.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.531 ' HA ' HG23 ' A' ' 111' ' ' VAL . 8.5 t70 -120.95 24.94 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 5.3 tttm -169.08 83.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.447 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 53.5 p -39.3 144.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 109.962 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.495 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 170.8 -177.9 43.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 1.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 135' ' ' VAL . 88.3 m -107.55 174.91 5.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 0.724 . . . . 1.0 110.451 179.991 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.53 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.5 p -70.16 140.1 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.722 ' HB3' HG12 ' A' ' 154' ' ' VAL . 4.4 tttt -121.99 -42.84 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 1.0 109.217 -179.928 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.63 136.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.931 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.03 132.55 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -101.78 -46.16 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.582 HG11 ' CE2' ' A' ' 91' ' ' PHE . 14.5 p -70.29 152.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 143' ' ' GLY . 32.6 tt0 -114.93 137.88 51.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 t -48.24 95.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 1.0 109.984 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.529 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.8 -32.0 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.581 1.175 . . . . 1.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.439 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -53.27 150.24 11.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 1.0 110.303 -179.947 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.1 Cg_endo -75.1 168.46 24.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 1.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 88' ' ' VAL . 1.5 m -134.29 160.18 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.647 ' HA ' HG22 ' A' ' 88' ' ' VAL . 14.6 mt-10 -144.4 160.34 41.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 1.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.574 ' H ' HG22 ' A' ' 88' ' ' VAL . 28.1 t80 -64.33 125.35 24.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 1.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 20.4 t0 80.06 11.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 3.8 tt0 -92.6 143.69 27.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 1.0 110.36 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.64 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.03 163.94 34.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 1.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 91' ' ' PHE . 83.5 mt -136.53 -80.6 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 1.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.931 HG22 HG23 ' A' ' 138' ' ' ILE . 14.5 t -125.51 145.99 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 1.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.949 HG22 HD12 ' A' ' 82' ' ' ILE . 95.8 t -102.78 122.22 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.639 ' CD1' HD21 ' A' ' 115' ' ' LEU . 1.4 mp -109.61 155.59 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.469 ' HB3' ' CG ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 1.0 110.342 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.41 ' CG ' ' N ' ' A' ' 82' ' ' ILE . 24.7 t60 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 . . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.41 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 4.4 mp -136.93 123.78 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 1.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.77 HG12 HD12 ' A' ' 152' ' ' LEU . 87.4 t -86.08 116.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 1.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 86' ' ' PRO . 6.8 mtt-85 -106.69 111.57 24.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 1.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.932 ' HB2' HD21 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -38.68 99.28 0.19 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.564 1.165 . . . . 1.0 110.02 179.968 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.0 Cg_endo -75.0 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.422 1.749 . . . . 1.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.78 114.73 5.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 1.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.928 HG13 ' HA ' ' A' ' 147' ' ' GLU . 5.8 t -59.32 139.32 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 1.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.71 -120.51 0.98 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 1.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 143' ' ' GLY . 50.5 m -126.05 167.54 15.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 0.722 . . . . 1.0 110.356 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.704 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.2 t80 -138.09 132.32 31.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 1.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.515 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.1 m-85 -125.36 151.61 45.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 1.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.781 HH21 ' HB3' ' A' ' 116' ' ' CYS . 0.9 OUTLIER -101.51 -14.18 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.398 1.061 . . . . 1.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.887 HG22 ' HA ' ' A' ' 101' ' ' ALA . 44.0 p -130.11 155.48 80.68 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.26 3.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.54 1.81 . . . . 1.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -127.57 175.47 3.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 1.0 109.989 -179.976 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -32.04 5.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 1.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -118.01 55.27 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.73 143.05 43.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 171.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 1.0 109.235 -179.903 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.887 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.08 133.03 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.947 ' CE1' HG21 ' A' ' 114' ' ' THR . 7.1 m-85 -47.26 -43.09 21.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 1.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 tt -134.48 112.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 41.9 tt0 -86.22 117.68 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 1.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.575 HG22 HD11 ' A' ' 138' ' ' ILE . 89.4 t -40.32 116.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 1.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.609 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.72 11.36 12.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 1.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -118.12 169.53 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 1.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 54.5 tttt -109.48 167.54 10.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.095 . . . . 1.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 133' ' ' GLY . 12.6 m -141.82 135.8 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 1.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -116.26 142.92 46.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.36 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 1.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.31 -17.87 6.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 1.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.87 143.83 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 1.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.947 HG21 ' CE1' ' A' ' 102' ' ' PHE . 68.9 m -64.9 152.38 43.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 1.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.728 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.8 tp -117.74 -40.27 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 1.0 109.314 -179.922 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.781 ' HB3' HH21 ' A' ' 93' ' ' ARG . 13.9 p -178.63 -166.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 1.0 108.284 179.952 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.446 HG21 ' CG ' ' A' ' 124' ' ' MET . 4.4 mt -137.16 156.49 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 1.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.496 ' CG2' HD11 ' A' ' 127' ' ' ILE . 17.6 t -138.1 132.64 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 1.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -95.41 132.28 40.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 1.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -171.84 167.1 6.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 1.0 109.285 179.924 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 121' ' ' MET . . . . . 0.5 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 24.6 ptm 42.82 44.15 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 1.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? 43.48 51.83 6.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 1.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.2 mtm -171.06 155.74 4.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.446 ' CG ' HG21 ' A' ' 117' ' ' ILE . 4.5 ttm -84.33 141.29 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -135.54 103.25 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -73.77 156.02 38.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 1.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.496 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.3 mt -119.1 116.37 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.78 121.03 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.728 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.42 133.0 1.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.28 14.38 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.5 OUTLIER -161.34 82.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 1.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 131' ' ' LYS . 49.2 p -39.19 138.76 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.474 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 178.25 -173.26 45.75 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.479 1.112 . . . . 1.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 18.5 m -116.57 151.14 36.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.785 . . . . 1.0 110.447 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.609 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.7 p -41.87 162.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -146.22 -48.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.65 133.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 1.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.73 129.8 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 1.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.66 HD21 HG23 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -97.38 -45.64 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 1.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.597 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.9 p -91.02 140.57 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.416 ' HG2' ' NE2' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -97.12 -179.1 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 1.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.3 t -77.09 97.54 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.515 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.02 -35.44 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 1.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.416 ' NE2' ' HG2' ' A' ' 141' ' ' GLU . 15.6 mt-30 -47.77 150.55 1.84 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 1.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 145' ' ' PRO . . . . . 0.538 ' O ' HG13 ' A' ' 146' ' ' VAL . 18.3 Cg_endo -75.01 178.27 7.49 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.446 1.761 . . . . 1.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.704 HG11 ' HB2' ' A' ' 91' ' ' PHE . 13.7 m -155.84 158.94 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 1.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.928 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.0 pt-20 -145.82 162.34 37.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.76 ' H ' HG22 ' A' ' 88' ' ' VAL . 9.7 t80 -62.47 135.16 57.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.12 -6.63 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 109.35 -179.938 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 147' ' ' GLU . 0.9 OUTLIER -89.22 133.24 35.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 1.0 110.273 179.969 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 151' ' ' PRO . . . . . 0.458 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.97 156.75 43.13 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.41 1.742 . . . . 1.0 111.002 179.927 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.932 HD21 ' HB2' ' A' ' 85' ' ' SER . 15.9 mt -117.16 -75.02 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 138' ' ' ILE . 9.1 t -127.69 141.84 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.66 HG23 HD21 ' A' ' 139' ' ' LEU . 44.4 t -99.51 123.56 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.9 mt -107.72 163.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 1.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.503 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 66.4 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 1.0 110.356 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.5 ptt? . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.49 0.186 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -127.46 -174.56 3.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 1.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.825 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -40.52 -54.67 4.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.825 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.98 -69.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 1.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 73' ' ' PRO . . . 71.46 -62.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 1.0 109.247 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.549 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -151.12 172.12 16.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 1.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . 74.52 -62.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.75 134.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 1.0 110.319 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 79' ' ' SER . 2.1 pp -136.3 -48.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 1.0 109.359 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.406 ' N ' HD12 ' A' ' 78' ' ' ILE . 3.2 m 62.76 116.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.976 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.435 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -38.71 158.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 1.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.502 ' CE1' ' HD2' ' A' ' 131' ' ' LYS . 12.2 m-70 -122.83 174.6 7.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 1.0 109.601 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.4 mp -142.84 116.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 152' ' ' LEU . 30.1 t -71.29 118.09 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 1.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 0.2 OUTLIER -109.39 107.58 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 110.349 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.581 ' HB3' HD11 ' A' ' 152' ' ' LEU . 2.0 p -39.98 106.13 0.39 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 1.0 109.955 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.71 8.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 1.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.77 121.03 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 1.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.684 HG22 ' N ' ' A' ' 148' ' ' PHE . 66.3 t -54.73 147.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.67 -126.56 1.86 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 1.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 143' ' ' GLY . 85.3 m -127.04 168.37 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.718 ' HD2' HD13 ' A' ' 152' ' ' LEU . 6.6 t80 -136.93 138.9 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 1.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.571 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.5 m-85 -133.23 159.04 41.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 1.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.74 ' HD2' HG21 ' A' ' 138' ' ' ILE . 0.9 OUTLIER -114.59 -17.55 11.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 1.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.981 HG22 ' HA ' ' A' ' 101' ' ' ALA . 44.2 p -136.19 155.73 77.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 1.0 110.363 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -11.74 21.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 1.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -164.21 178.74 1.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 1.0 110.033 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.03 -46.66 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 1.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.18 35.57 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 1.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.0 161.69 17.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 167.11 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.981 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -99.92 134.39 42.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 114' ' ' THR . 12.4 m-85 -54.93 -40.37 69.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 1.0 111.065 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 1.8 tt -132.69 113.65 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.16 111.27 20.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 1.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.3 t -40.17 116.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.566 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 106.69 19.46 9.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.55 165.38 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 1.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 150.35 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 1.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 133' ' ' GLY . 20.4 m -130.7 137.63 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 1.0 OUTLIER -117.0 144.2 44.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.526 HG23 ' H ' ' A' ' 132' ' ' SER . 3.1 t -40.18 108.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.94 -11.02 8.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 1.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.85 135.61 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.68 HG21 ' CE1' ' A' ' 102' ' ' PHE . 30.0 m -62.06 143.03 57.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 1.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 103' ' ' ILE . 7.4 mt -112.86 -31.43 6.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.562 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 0.9 OUTLIER 175.91 -172.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 108.317 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.603 HD13 ' HA ' ' A' ' 126' ' ' GLN . 12.4 mm -126.09 167.46 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 90' ' ' THR . 4.2 t -151.81 128.56 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 1.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.412 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.6 tt0 -83.15 128.45 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -168.24 166.56 12.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.107 . . . . 1.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 3.5 ptt? 42.61 45.65 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 tttt 42.1 51.68 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 1.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.14 155.82 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 1.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.4 mtt -72.11 139.85 48.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 1.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -132.11 102.13 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.65 ' HG3' HG23 ' A' ' 114' ' ' THR . 8.7 tt0 -70.73 152.96 43.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.503 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.6 mt -121.83 115.98 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 129' ' ' ALA . 6.7 tt0 -97.2 131.1 44.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 115' ' ' LEU . . . -40.28 133.03 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 1.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.62 12.93 32.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.502 ' HD2' ' CE1' ' A' ' 81' ' ' HIS . 1.1 tttp 177.75 103.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.526 ' H ' HG23 ' A' ' 111' ' ' VAL . 67.9 p -39.13 143.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.548 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 178.25 -178.62 48.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 1.0 110.982 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 40.9 m -112.58 145.57 40.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 1.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.566 HG11 ' H ' ' A' ' 106' ' ' GLY . 7.9 p -41.13 160.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.68 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -141.9 -49.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.237 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.37 138.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 1.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 1.015 HG23 HG22 ' A' ' 153' ' ' VAL . 4.6 mm -100.1 111.89 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.846 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -79.68 -46.2 17.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.628 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.7 p -86.78 152.29 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 172.33 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.2 p -70.86 105.25 3.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 1.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 107.83 -20.17 31.95 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 1.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 12.6 tt0 -57.17 139.56 79.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 1.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.3 Cg_endo -74.98 150.62 38.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.793 . . . . 1.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' A' ' 91' ' ' PHE . 1.3 m -131.37 161.61 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 6.4 mt-10 -130.15 175.08 9.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.684 ' N ' HG22 ' A' ' 88' ' ' VAL . 36.7 t80 -60.49 139.54 57.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.5 OUTLIER 58.17 15.95 3.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 1.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 26.2 tp10 -85.34 135.22 39.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 1.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.846 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.0 137.95 22.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 1.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.718 HD13 ' HD2' ' A' ' 91' ' ' PHE . 26.1 mt -112.83 -77.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 1.015 HG22 HG23 ' A' ' 138' ' ' ILE . 53.8 t -116.93 149.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 1.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.714 HG23 HD21 ' A' ' 139' ' ' LEU . 79.5 t -114.12 122.49 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.469 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.9 mp -107.74 164.34 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.477 0.18 . . . . 1.0 110.967 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 64.69 152.35 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 110.273 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.48 89.25 36.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 109.249 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 119.42 5.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 1.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.32 176.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 1.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.88 -61.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -166.23 147.84 6.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -167.36 120.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 1.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.13 -70.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 1.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.9 t 179.88 42.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 1.0 110.06 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -43.78 168.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.133 . . . . 1.0 111.005 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.618 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 9.3 m-70 -115.87 166.66 11.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 1.0 109.531 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.859 HD13 HG22 ' A' ' 154' ' ' VAL . 3.5 mm -132.3 117.73 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 1.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.821 HG21 HD13 ' A' ' 115' ' ' LEU . 93.7 t -87.03 116.53 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 1.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -115.73 123.5 48.45 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.551 1.157 . . . . 1.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.545 ' OG ' HG21 ' A' ' 146' ' ' VAL . 0.5 OUTLIER -44.52 103.53 0.34 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 1.0 109.933 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 1.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.7 mtt -154.65 116.06 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.815 HG22 ' H ' ' A' ' 148' ' ' PHE . 15.3 t -51.95 138.65 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.47 -120.84 0.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 1.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 91' ' ' PHE . 46.2 m -129.79 169.04 15.65 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.497 0.763 . . . . 1.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.789 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.5 t80 -140.76 137.47 33.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.556 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 78.4 m-85 -128.83 162.51 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 1.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.456 ' NH2' HD12 ' A' ' 138' ' ' ILE . 5.6 mmm-85 -111.19 -14.1 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 1.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.901 HG22 ' HA ' ' A' ' 101' ' ' ALA . 77.5 p -129.43 155.48 80.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 1.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.69 9.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.793 . . . . 1.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -141.92 177.2 1.99 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.0 Cg_endo -75.04 -43.42 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 1.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -100.82 52.91 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 1.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.9 144.44 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 1.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 168.18 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 1.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.901 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -73.9 133.0 43.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.955 ' CE1' HG21 ' A' ' 114' ' ' THR . 4.4 m-85 -44.14 -44.32 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.449 HD12 ' CG1' ' A' ' 109' ' ' VAL . 36.8 mm -134.65 139.69 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 1.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -104.63 115.72 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 110.23 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.506 ' HA ' HG21 ' A' ' 135' ' ' VAL . 57.4 t -40.47 116.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 1.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.531 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.31 25.73 5.43 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.441 1.088 . . . . 1.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -120.33 171.11 8.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.792 . . . . 1.0 110.297 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -108.79 123.58 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 103' ' ' ILE . 15.9 m -115.42 136.28 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.388 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -117.81 144.51 45.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.3 109.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 1.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.84 -3.44 6.95 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.508 1.13 . . . . 1.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.16 137.19 42.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 0.805 . . . . 1.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.955 HG21 ' CE1' ' A' ' 102' ' ' PHE . 97.3 m -59.43 141.84 53.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 1.0 110.431 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.821 HD13 HG21 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -112.58 -33.35 6.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.615 1.197 . . . . 1.0 109.255 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.5 ' SG ' ' CD1' ' A' ' 115' ' ' LEU . 21.1 p 178.39 -172.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 108.33 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 118' ' ' VAL . 5.9 mt -132.7 160.89 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.483 ' CG2' HD11 ' A' ' 127' ' ' ILE . 2.9 t -146.0 133.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -93.52 140.47 29.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 1.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.05 154.02 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.3 mmm 51.09 27.83 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 1.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt 63.6 43.85 5.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 1.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.4 mmt -159.52 150.26 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 124' ' ' MET . 1.8 pmm? -78.03 142.99 37.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 1.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -139.27 104.85 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 1.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -71.37 152.86 42.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.8 HG22 HD21 ' A' ' 115' ' ' LEU . 1.4 mt -118.83 116.95 52.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 1.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -95.09 122.75 38.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 1.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.4 133.1 1.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.39 15.17 26.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 1.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.618 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER 178.19 111.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 1.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 92.8 p -40.6 160.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 1.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.452 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -178.51 -173.29 43.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.756 ' O ' HG12 ' A' ' 135' ' ' VAL . 2.7 m -138.67 56.3 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 1.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 134' ' ' THR . 6.2 p 50.84 177.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.745 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -166.28 -47.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 1.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.07 133.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 1.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.816 HG23 HG22 ' A' ' 153' ' ' VAL . 1.0 OUTLIER -97.48 126.03 50.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.471 1.107 . . . . 1.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.811 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -96.72 -44.26 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.256 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.652 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.8 p -79.37 163.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 109.389 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.443 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.8 OUTLIER -115.0 172.77 6.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 1.0 110.291 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.4 t -82.44 101.86 10.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.556 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.36 -21.69 16.77 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.473 1.108 . . . . 1.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.26 150.98 83.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.416 0.715 . . . . 1.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -75.02 166.76 28.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 1.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 91' ' ' PHE . 34.1 m -143.8 158.8 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.669 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -133.69 163.52 29.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.815 ' H ' HG22 ' A' ' 88' ' ' VAL . 35.4 t80 -62.33 135.14 57.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 1.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 7.3 t70 74.49 4.03 4.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.3 tp10 -85.92 136.44 36.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.811 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.05 151.68 39.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 1.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.785 HD13 ' HD2' ' A' ' 91' ' ' PHE . 54.9 mt -120.35 -77.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.816 HG22 HG23 ' A' ' 138' ' ' ILE . 3.8 t -128.46 152.44 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 1.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.859 HG22 HD13 ' A' ' 82' ' ' ILE . 69.9 t -111.19 127.41 68.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 1.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 156' ' ' GLU . 4.9 mp -112.69 166.96 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.527 ' N ' HG22 ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.515 0.198 . . . . 1.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.58 -59.24 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 1.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.95 159.4 1.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.99 5.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.431 1.753 . . . . 1.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.47 63.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 1.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.35 89.52 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 63.26 170.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 1.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' SER . 30.8 tt0 -178.08 90.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 1.0 110.317 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 80' ' ' GLY . 52.2 mt 69.07 -66.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 1.0 109.385 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.503 ' O ' ' CE1' ' A' ' 81' ' ' HIS . 1.2 m 49.97 22.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 109.981 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.63 ' H ' HG22 ' A' ' 78' ' ' ILE . . . -59.88 91.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.566 1.166 . . . . 1.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.594 ' C ' HD12 ' A' ' 82' ' ' ILE . 2.4 m80 -112.82 161.16 17.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 1.0 109.574 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 81' ' ' HIS . 4.6 mp -132.06 116.05 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 1.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.804 HG12 HD12 ' A' ' 152' ' ' LEU . 37.2 t -77.9 117.9 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -105.8 119.36 38.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 1.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.871 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -45.43 103.75 0.36 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 109.993 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 0.44 8.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.778 . . . . 1.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.92 143.85 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 1.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.0 t -81.28 138.95 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 1.0 109.245 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.15 -121.16 1.03 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 1.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 85.7 m -127.66 167.43 16.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 1.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.767 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.4 t80 -138.06 135.45 35.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 1.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 72.8 m-85 -129.2 158.32 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.813 ' HD2' HG21 ' A' ' 138' ' ' ILE . 0.1 OUTLIER -113.42 -18.34 12.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 1.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 1.001 HG22 ' HA ' ' A' ' 101' ' ' ALA . 40.5 p -136.7 155.1 76.86 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 1.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.03 19.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 1.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -157.67 178.74 1.58 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.929 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.99 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 1.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.61 27.53 6.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.23 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.15 164.48 11.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 1.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 2.8 mmtp -65.0 167.39 7.88 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.001 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -107.04 136.74 46.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.845 ' CE1' HG21 ' A' ' 114' ' ' THR . 27.9 m-85 -63.92 -37.32 86.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 1.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.46 73.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 107' ' ' GLN . 16.7 pt-20 -64.61 123.42 19.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 1.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.498 HG22 HD11 ' A' ' 138' ' ' ILE . 53.1 t -40.22 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.689 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.23 13.76 24.01 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.499 1.125 . . . . 1.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -114.18 164.42 13.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 0.795 . . . . 1.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.497 ' CG ' HG23 ' A' ' 134' ' ' THR . 7.6 mttt -117.24 170.64 8.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 132' ' ' SER . 18.3 m -149.56 139.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 2.4 t30 -119.69 151.11 39.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.34 109.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.78 -14.27 9.15 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.488 1.118 . . . . 1.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 136.75 32.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.787 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.845 HG21 ' CE1' ' A' ' 102' ' ' PHE . 86.4 m -49.43 174.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 1.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.522 ' H ' HG22 ' A' ' 114' ' ' THR . 5.8 tp -137.75 -46.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.572 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.6 p -178.47 -165.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 1.0 108.306 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.496 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.8 mt -136.07 156.46 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.513 ' CG2' HD11 ' A' ' 127' ' ' ILE . 6.4 t -141.6 131.66 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -92.28 132.54 36.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 1.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.79 147.71 20.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 95.4 mtp 51.78 28.94 5.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 1.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt 64.57 42.0 5.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 1.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.5 ttm -147.56 158.53 44.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.456 1.098 . . . . 1.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.458 ' CG ' HG21 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -98.19 126.14 43.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 1.0 111.07 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -124.39 121.54 35.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.234 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -78.66 153.92 30.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 1.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.513 HD11 ' CG2' ' A' ' 118' ' ' VAL . 3.2 mt -123.34 115.9 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.23 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.84 152.75 21.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 1.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.483 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -63.13 157.06 23.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 1.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -135.84 18.62 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.435 ' HD3' ' CE1' ' A' ' 81' ' ' HIS . 0.4 OUTLIER 175.57 96.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.472 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 85.4 p -41.84 133.12 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.1 -173.04 39.87 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 1.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 135' ' ' VAL . 2.5 m -110.4 -173.98 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.774 . . . . 1.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.689 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.6 p -79.4 148.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 1.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.618 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -128.08 -48.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 168.56 133.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.813 HG21 ' HD2' ' A' ' 93' ' ' ARG . 1.0 OUTLIER -99.98 113.33 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 1.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.919 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -82.41 -44.88 15.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.622 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.7 p -78.42 140.3 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 1.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.39 150.9 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.3 p -64.05 92.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 1.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 123.05 -9.68 8.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 1.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.38 151.99 83.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 1.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.07 160.32 40.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 1.0 111.002 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.767 HG11 ' HB2' ' A' ' 91' ' ' PHE . 6.6 m -140.21 157.97 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 1.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.651 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -131.46 155.93 46.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 1.0 110.288 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.851 ' H ' HG22 ' A' ' 88' ' ' VAL . 17.6 t80 -62.98 133.99 55.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 1.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.0 t70 83.55 -3.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.354 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 3.2 mm-40 -89.6 148.24 39.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 1.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.552 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.01 155.96 42.91 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.52 1.8 . . . . 1.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.871 HD11 ' HA ' ' A' ' 85' ' ' SER . 74.9 mt -122.0 -80.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 1.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.776 HG22 HG23 ' A' ' 138' ' ' ILE . 3.8 t -127.11 150.1 32.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.919 HG23 HD21 ' A' ' 139' ' ' LEU . 35.7 t -103.21 123.82 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 1.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.5 mp -108.79 163.86 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 1.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 1.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.8 ptm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.551 0.215 . . . . 1.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.635 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.8 OUTLIER -72.42 133.31 44.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 168.01 -54.47 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 1.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -74.94 56.19 4.14 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.794 . . . . 1.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 45.13 91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.24 -61.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 1.0 109.252 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.96 106.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 1.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -178.25 100.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 1.0 110.359 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -153.8 116.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 1.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.35 -82.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 110.052 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.25 100.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.507 1.129 . . . . 1.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.461 ' HB2' ' CD ' ' A' ' 131' ' ' LYS . 23.6 t60 -123.18 159.9 27.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 1.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.911 ' CD1' HG13 ' A' ' 154' ' ' VAL . 22.6 mm -135.0 115.83 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 1.0 109.365 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.59 HG12 HD12 ' A' ' 152' ' ' LEU . 84.4 t -82.44 116.56 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -112.35 127.66 56.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.745 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -46.67 104.52 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.982 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.3 9.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.81 . . . . 1.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.1 ttm -159.69 127.2 4.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.855 HG22 ' H ' ' A' ' 148' ' ' PHE . 6.3 t -60.05 139.2 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.58 -123.15 1.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 1.0 111.042 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 91' ' ' PHE . 86.4 m -129.77 167.82 17.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 1.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.783 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.8 t80 -137.53 135.64 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 66.9 m-85 -129.37 152.86 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 1.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.435 ' NH2' HD12 ' A' ' 138' ' ' ILE . 9.1 mmm-85 -101.16 -13.94 17.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 1.0 110.248 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.936 HG22 ' HA ' ' A' ' 101' ' ' ALA . 53.7 p -130.41 155.54 80.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 1.0 110.418 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -26.55 10.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.567 1.825 . . . . 1.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.11 175.88 2.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 109.992 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.94 -37.35 2.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.567 1.825 . . . . 1.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -108.25 54.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.27 149.67 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 168.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.936 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -84.01 132.99 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.935 ' CE1' HG21 ' A' ' 114' ' ' THR . 8.9 m-85 -50.45 -41.77 53.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -140.68 109.75 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 1.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.7 129.28 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.467 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.9 t -40.26 116.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.117 . . . . 1.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.715 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.22 7.27 21.31 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.438 1.086 . . . . 1.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -111.39 159.38 18.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 1.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -105.93 168.93 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 1.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.2 m -145.18 139.06 22.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 109.33 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -123.2 146.99 47.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 1.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.38 109.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.453 1.095 . . . . 1.0 109.255 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.24 3.63 12.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.51 137.54 46.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.77 . . . . 1.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.935 HG21 ' CE1' ' A' ' 102' ' ' PHE . 96.3 m -63.16 141.39 58.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 110.448 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.842 HD21 HG22 ' A' ' 127' ' ' ILE . 3.5 pp -112.71 -32.85 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 109.36 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 12.3 p -178.71 -164.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.508 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.7 mt -139.69 150.64 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 109.228 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' THR . 45.0 t -130.85 132.76 63.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 1.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.93 129.66 46.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -158.01 157.54 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 1.0 109.23 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 mtm 51.72 20.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.4 44.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.37 150.25 23.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.0 mtm -79.06 137.2 37.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 1.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.22 95.38 3.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 1.0 109.241 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -62.07 151.92 34.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 1.0 110.355 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.842 HG22 HD21 ' A' ' 115' ' ' LEU . 2.9 mm -114.2 115.8 50.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.77 125.2 35.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.442 ' HA ' HD23 ' A' ' 115' ' ' LEU . . . -41.91 133.07 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.601 1.188 . . . . 1.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.19 14.45 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.461 ' CD ' ' HB2' ' A' ' 81' ' ' HIS . 18.6 tttt -166.61 84.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 1.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' LYS . 53.9 p -39.2 142.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 1.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.16 -173.32 46.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.111 . . . . 1.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.2 m -117.0 151.74 36.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 0.785 . . . . 1.0 110.429 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.715 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.2 p -41.75 161.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.501 1.126 . . . . 1.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.5 tmtm? -148.71 -47.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.329 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 168.46 132.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.82 HG23 HG22 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -102.11 136.57 33.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.622 HD21 HG23 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -105.55 -48.03 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.313 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.547 HG13 ' CE1' ' A' ' 91' ' ' PHE . 9.0 p -69.11 167.77 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 1.0 109.352 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.1 mp0 -119.57 168.95 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 1.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 t -82.91 87.15 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.07 -5.68 7.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 1.0 110.986 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.37 149.9 69.69 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 1.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -75.04 158.98 41.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 1.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.6 m -138.64 160.19 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.601 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.2 tt0 -132.44 157.14 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 1.0 110.347 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.855 ' H ' HG22 ' A' ' 88' ' ' VAL . 14.6 t80 -63.16 134.56 56.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 83.82 -6.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.466 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 48.5 mm-40 -86.02 148.55 48.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 1.0 110.264 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.61 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.97 168.13 25.53 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.453 1.765 . . . . 1.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.745 HD11 ' HA ' ' A' ' 85' ' ' SER . 61.0 mt -138.32 -80.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 1.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.82 HG22 HG23 ' A' ' 138' ' ' ILE . 11.2 t -124.63 142.2 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 1.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.911 HG13 ' CD1' ' A' ' 82' ' ' ILE . 45.9 t -100.13 128.93 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 1.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.5 mp -119.32 163.88 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 1.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.478 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 11.6 pt-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 1.0 110.339 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.441 0.162 . . . . 1.0 111.038 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.64 158.36 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -152.01 92.02 3.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 1.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -39.16 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.781 . . . . 1.0 111.038 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.93 -61.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 1.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.29 -61.21 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 1.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -176.77 161.44 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 109.36 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.05 120.93 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.3 tp -94.57 57.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 1.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 t 60.26 -92.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.961 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.96 123.67 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.514 1.133 . . . . 1.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.514 ' CG ' ' HB2' ' A' ' 131' ' ' LYS . 3.8 t60 -142.84 134.34 26.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.485 0.756 . . . . 1.0 109.609 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.682 HG12 HG13 ' A' ' 154' ' ' VAL . 8.8 mt -99.43 123.18 51.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.159 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.006 HG21 HD13 ' A' ' 115' ' ' LEU . 72.2 t -81.24 122.51 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 1.0 109.287 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -110.58 119.65 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 1.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.84 ' HB2' HD21 ' A' ' 152' ' ' LEU . 32.3 t -39.36 105.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 110.071 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.47 8.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 1.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.76 ' CG ' HG11 ' A' ' 118' ' ' VAL . 16.1 ptp -161.29 135.74 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.87 HG22 ' H ' ' A' ' 148' ' ' PHE . 2.9 t -70.73 140.22 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 1.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.61 -118.78 0.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 1.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 27.3 m -128.39 169.9 13.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.78 . . . . 1.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.784 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.5 t80 -140.84 141.57 34.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.4 m-85 -135.67 154.18 51.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.485 ' HD3' HG21 ' A' ' 138' ' ' ILE . 16.3 mmm-85 -101.06 -15.85 17.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 1.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.969 HG22 ' HA ' ' A' ' 101' ' ' ALA . 77.0 p -131.38 155.57 81.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -29.34 8.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.779 . . . . 1.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.494 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -141.03 177.79 1.81 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 1.0 109.98 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -43.14 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 1.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.84 52.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 1.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.51 145.29 40.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 1.0 109.377 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -58.05 169.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.969 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -84.2 133.02 34.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.911 ' CE1' HG21 ' A' ' 114' ' ' THR . 9.9 m-85 -49.99 -41.96 48.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 1.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.407 HD12 HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -134.92 97.59 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 1.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.593 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 3.4 mp0 -76.25 122.71 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 1.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.498 HG22 HD11 ' A' ' 138' ' ' ILE . 55.1 t -40.14 115.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.583 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 99.68 28.05 7.67 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 1.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 134' ' ' THR . 6.4 tt0 -114.4 171.83 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 1.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 136.6 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.407 HG11 HD12 ' A' ' 103' ' ' ILE . 15.5 m -135.26 135.88 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.437 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.5 p-10 -118.44 143.89 46.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.04 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 1.0 109.36 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.95 -0.99 7.84 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 1.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.74 137.53 44.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 0.757 . . . . 1.0 109.214 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.911 HG21 ' CE1' ' A' ' 102' ' ' PHE . 85.0 m -54.07 141.12 29.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.0 110.37 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.006 HD13 HG21 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -114.01 -31.79 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.422 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 26.3 p -177.78 -168.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 108.261 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.787 HG23 ' O ' ' A' ' 125' ' ' ASN . 4.9 mt -136.79 146.11 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 1.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.76 HG11 ' CG ' ' A' ' 87' ' ' MET . 16.2 t -124.48 130.15 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 1.0 109.346 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -102.2 139.95 37.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 110.222 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -135.89 -176.13 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 120' ' ' ALA . 2.4 ptp -37.37 94.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 111.057 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 120' ' ' ALA . 13.3 pttt 39.94 57.98 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -159.41 133.94 7.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 1.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.68 123.92 48.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.787 ' O ' HG23 ' A' ' 117' ' ' ILE . 8.2 m-80 -127.12 153.92 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -114.19 160.64 18.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 110.289 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.782 ' CG2' HD21 ' A' ' 115' ' ' LEU . 2.3 mm -118.58 117.89 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -95.11 116.11 28.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.14 133.15 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 1.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -113.82 3.88 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 1.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.514 ' HB2' ' CG ' ' A' ' 81' ' ' HIS . 2.7 mptt -155.31 89.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 1.0 109.322 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 77.2 p -39.12 155.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.23 -173.0 45.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.094 . . . . 1.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.742 ' O ' HG12 ' A' ' 135' ' ' VAL . 2.1 m -130.13 69.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.597 0.822 . . . . 1.0 110.383 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 134' ' ' THR . 6.6 p 50.57 177.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 1.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.69 ' H ' HG22 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -167.81 -43.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.272 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 165.07 133.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.815 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.58 133.87 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 1.0 109.278 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.07 -44.71 4.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.7 p -74.89 158.86 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.05 161.69 15.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.8 p -72.82 95.02 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 116.83 -5.39 18.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.155 . . . . 1.0 111.024 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.464 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -78.61 150.95 76.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 1.0 110.23 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.0 Cg_endo -75.0 157.42 42.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.528 1.804 . . . . 1.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.8 m -139.36 157.23 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 1.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.795 ' HA ' HG13 ' A' ' 88' ' ' VAL . 23.3 tt0 -127.99 149.66 50.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.87 ' H ' HG22 ' A' ' 88' ' ' VAL . 6.9 t80 -60.68 138.18 58.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 1.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 10.6 t70 85.01 -8.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 1.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 14.9 mm-40 -92.15 145.74 31.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.3 Cg_endo -75.03 163.91 34.34 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.809 . . . . 1.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.84 HD21 ' HB2' ' A' ' 85' ' ' SER . 18.3 mt -128.47 -75.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.815 HG22 HG23 ' A' ' 138' ' ' ILE . 6.1 t -128.76 142.68 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.682 HG13 HG12 ' A' ' 82' ' ' ILE . 2.7 t -99.77 124.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.474 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.7 mp -113.12 157.05 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 1.0 110.387 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.42 0.152 . . . . 1.0 111.018 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -43.91 138.58 2.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.84 80.96 0.23 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.598 1.186 . . . . 1.0 109.35 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 58.66 4.94 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.511 1.795 . . . . 1.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.07 101.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.245 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.35 173.28 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 62.05 66.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 1.0 109.373 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' ILE . 2.2 tt0 -157.69 114.93 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.736 HG23 ' N ' ' A' ' 79' ' ' SER . 1.5 tp 44.68 -167.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.736 ' N ' HG23 ' A' ' 78' ' ' ILE . 1.5 m 87.93 -41.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 1.0 109.913 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.449 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -46.35 162.1 0.18 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.165 . . . . 1.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 1.023 ' CE1' HD13 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -126.94 162.89 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 1.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.977 ' CD1' HG13 ' A' ' 154' ' ' VAL . 15.4 mm -126.14 124.08 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.709 HG23 ' CE1' ' A' ' 81' ' ' HIS . 9.2 t -94.89 118.61 41.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 76.6 mtm-85 -109.21 130.08 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 1.0 110.354 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.769 ' CA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -50.62 106.55 0.66 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 1.0 110.047 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.79 . . . . 1.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.9 mmm -155.48 128.85 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.404 1.065 . . . . 1.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.823 HG22 ' H ' ' A' ' 148' ' ' PHE . 11.8 t -64.84 139.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.44 -124.5 1.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 1.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 62.9 m -125.84 170.01 12.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 1.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.783 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.4 t80 -141.47 143.19 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.8 m-85 -136.17 155.41 50.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.51 ' HD3' HG21 ' A' ' 138' ' ' ILE . 19.4 mmm180 -101.19 -15.9 17.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.97 HG22 ' HA ' ' A' ' 101' ' ' ALA . 65.3 p -133.48 155.55 80.55 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.11 12.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 1.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -148.68 177.9 1.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.08 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -45.45 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 1.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -98.55 48.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.32 155.2 48.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 166.53 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 1.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.97 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -87.21 135.08 33.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 1.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.819 ' CE1' HG21 ' A' ' 114' ' ' THR . 14.8 m-85 -56.17 -40.06 73.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.885 HD12 HG11 ' A' ' 109' ' ' VAL . 5.2 mm -129.73 84.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.13 114.23 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.9 t -39.96 117.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 1.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.635 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 102.92 15.69 23.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.381 1.05 . . . . 1.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -113.39 169.95 8.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 0.754 . . . . 1.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 133' ' ' GLY . 0.0 OUTLIER -119.13 154.47 33.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 1.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.885 HG11 HD12 ' A' ' 103' ' ' ILE . 34.5 m -135.23 146.7 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.229 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 52.6 t-20 -125.2 148.04 48.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 1.0 109.381 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.7 p -40.35 109.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.21 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.63 -13.08 7.34 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.541 1.151 . . . . 1.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.71 135.95 35.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.819 HG21 ' CE1' ' A' ' 102' ' ' PHE . 87.0 m -48.04 174.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.0 110.393 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.697 HD13 ' HB2' ' A' ' 129' ' ' ALA . 5.4 tp -138.08 -46.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 p -176.35 -172.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 1.0 108.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 125' ' ' ASN . 3.9 mt -129.42 152.1 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.228 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.48 ' CG2' HD11 ' A' ' 127' ' ' ILE . 4.3 t -135.36 132.05 52.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.42 142.26 31.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 110.257 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -138.37 -176.19 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 122' ' ' LYS . 2.5 mtt -37.72 93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 39.91 57.64 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 109.237 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.98 150.11 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.427 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -118.41 134.03 55.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 1.0 111.012 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.586 ' O ' HG23 ' A' ' 117' ' ' ILE . 9.0 m120 -130.15 151.21 50.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 1.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.34 152.22 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 110.246 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.48 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.5 mt -115.15 116.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -99.35 133.03 44.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.697 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -51.09 140.33 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 1.0 109.259 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -122.82 16.31 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 1.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -174.91 97.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.0 109.33 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 78.2 p -40.82 142.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 1.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.424 ' O ' ' CD ' ' A' ' 108' ' ' LYS . . . 178.76 178.37 48.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.126 . . . . 1.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 155' ' ' ILE . 0.9 OUTLIER -113.2 154.45 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 1.0 110.351 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.635 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.8 p -43.82 165.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.0 109.373 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -150.85 -49.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 174.86 132.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 1.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 1.082 HG23 HG22 ' A' ' 153' ' ' VAL . 2.7 mm -100.67 113.67 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.793 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -81.4 -44.22 17.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.56 HG13 ' CE1' ' A' ' 91' ' ' PHE . 9.8 p -79.57 167.21 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.489 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.1 mt-10 -120.81 170.9 9.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.5 t -81.02 95.39 6.8 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.542 1.151 . . . . 1.0 109.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 115.33 -4.91 21.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 1.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -79.47 150.54 73.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 1.0 110.265 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.02 160.29 40.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 1.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 91' ' ' PHE . 6.1 m -139.92 156.57 25.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 1.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.531 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.4 OUTLIER -128.9 154.2 46.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 1.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.823 ' H ' HG22 ' A' ' 88' ' ' VAL . 15.0 t80 -62.71 135.2 57.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 10.7 t70 83.71 -6.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 1.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.47 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 37.8 mm-40 -87.74 149.78 46.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 1.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.793 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.99 168.28 25.2 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.435 1.755 . . . . 1.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.769 HD11 ' CA ' ' A' ' 85' ' ' SER . 54.1 mt -139.2 -79.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 1.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 1.082 HG22 HG23 ' A' ' 138' ' ' ILE . 19.1 t -120.36 139.6 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.977 HG13 ' CD1' ' A' ' 82' ' ' ILE . 66.3 t -107.79 120.4 59.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 1.023 HD13 ' CE1' ' A' ' 81' ' ' HIS . 1.2 mp -105.85 163.52 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.489 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.36 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.4 mmm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.567 0.222 . . . . 1.0 110.972 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 179.88 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.33 68.34 1.83 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.38 11.32 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.515 1.797 . . . . 1.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.67 175.66 1.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.42 1.075 . . . . 1.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.28 141.54 24.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 1.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -176.96 171.94 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 1.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -147.77 157.0 43.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 1.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.484 HD12 ' CE ' ' A' ' 131' ' ' LYS . 9.2 tp -102.88 153.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.414 1.071 . . . . 1.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.11 79.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 110.075 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.78 119.06 4.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.56 1.163 . . . . 1.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.513 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -128.93 103.29 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 1.0 109.626 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.885 ' CG1' HG13 ' A' ' 154' ' ' VAL . 5.0 mt -90.86 123.91 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.475 1.109 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.523 HG21 HD13 ' A' ' 115' ' ' LEU . 95.8 t -83.38 135.43 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 1.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 2.4 mtm180 -124.33 117.43 24.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 1.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.705 ' HB2' HD21 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -41.12 101.05 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.446 1.761 . . . . 1.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.43 115.23 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 1.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.784 HG22 ' H ' ' A' ' 148' ' ' PHE . 19.4 t -52.02 138.37 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 1.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.71 -124.19 1.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 1.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 91' ' ' PHE . 84.2 m -127.04 170.61 12.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 1.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.71 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.4 t80 -140.52 143.36 35.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 110.951 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 69.8 m-85 -137.36 155.79 48.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 1.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -102.31 -15.14 16.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.961 HG22 ' HA ' ' A' ' 101' ' ' ALA . 81.2 p -131.68 155.53 81.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 1.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.66 19.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 1.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -150.59 168.67 10.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 1.0 110.072 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.31 12.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 1.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.21 34.23 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.419 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -119.66 150.49 40.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 1.0 109.24 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 170.47 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.961 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -90.01 133.16 34.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.933 ' CE1' HG21 ' A' ' 114' ' ' THR . 12.7 m-85 -54.2 -40.24 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 1.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.718 ' CD1' HG11 ' A' ' 109' ' ' VAL . 20.0 mt -139.35 114.7 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 1.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 4.1 tt0 -93.38 120.05 33.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 1.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 138' ' ' ILE . 92.0 t -40.29 116.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.429 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 110.63 22.16 6.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 1.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.69 165.18 22.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 1.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -109.59 168.75 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.718 HG11 ' CD1' ' A' ' 103' ' ' ILE . 16.6 m -149.62 148.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 27.6 p30 -121.33 142.23 50.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 1.0 109.267 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.599 HG23 ' H ' ' A' ' 132' ' ' SER . 3.3 t -40.47 109.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.115 . . . . 1.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.63 -3.47 7.06 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.488 1.118 . . . . 1.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.84 137.54 43.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 1.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.933 HG21 ' CE1' ' A' ' 102' ' ' PHE . 97.7 m -56.29 141.65 40.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.571 1.169 . . . . 1.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.782 HD21 HG22 ' A' ' 127' ' ' ILE . 2.1 pp -112.79 -32.85 6.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.505 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.75 -167.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.435 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.6 mt -136.73 150.82 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' THR . 55.0 t -133.56 130.06 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -92.97 129.42 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 1.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.92 153.88 26.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 7.1 mmm 47.14 42.11 12.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 1.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 121' ' ' MET . 16.2 pttp 48.9 45.96 22.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 1.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 143.77 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 1.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 124' ' ' MET . 1.0 OUTLIER -73.78 137.41 43.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -135.22 96.25 3.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 1.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -65.59 151.32 46.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.312 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.782 HG22 HD21 ' A' ' 115' ' ' LEU . 2.7 mm -119.19 115.84 49.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.103 . . . . 1.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -91.62 126.71 36.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 1.0 110.256 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -41.01 140.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 1.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -121.66 19.54 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 1.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.484 ' CE ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -175.09 93.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 1.0 109.264 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.599 ' H ' HG23 ' A' ' 111' ' ' VAL . 60.1 p -39.9 146.53 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 1.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 171.23 -173.2 44.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 1.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 135' ' ' VAL . 3.6 m -116.63 170.66 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 1.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.496 ' N ' HG22 ' A' ' 134' ' ' THR . 7.3 p -55.61 157.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.495 1.122 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.0 OUTLIER -142.21 -47.41 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 1.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.35 133.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.869 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.67 136.08 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -105.67 -47.44 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 1.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.603 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.0 p -85.84 137.97 19.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 1.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.26 178.42 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.1 t -77.96 93.42 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 110.026 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.92 -15.95 6.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.457 1.098 . . . . 1.0 111.029 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -66.78 148.92 98.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 1.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.4 Cg_endo -74.92 169.71 22.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.421 1.748 . . . . 1.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' ' 91' ' ' PHE . 28.8 m -147.12 158.22 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 1.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.558 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -131.18 165.79 22.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.0 110.295 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.784 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.6 t80 -66.69 125.28 25.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.3 t70 82.01 -3.8 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 1.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -76.7 144.99 74.13 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 1.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.672 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.1 Cg_endo -75.0 150.22 37.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 1.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.705 HD21 ' HB2' ' A' ' 85' ' ' SER . 28.8 mt -123.41 -77.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.869 HG22 HG23 ' A' ' 138' ' ' ILE . 15.1 t -129.42 139.01 52.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.885 HG13 ' CG1' ' A' ' 82' ' ' ILE . 12.3 t -97.65 121.89 48.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -111.48 163.88 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.11 . . . . 1.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 40.0 tt0 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 1.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.501 0.191 . . . . 1.0 111.034 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.6 OUTLIER -173.64 73.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.834 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 168.28 -54.69 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 1.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.834 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.96 72.56 4.59 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.494 1.787 . . . . 1.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.45 178.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.072 . . . . 1.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.605 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . -110.41 -72.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 1.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 75' ' ' ALA . . . 169.74 158.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.349 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 45.32 77.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 1.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.849 HG22 ' H ' ' A' ' 80' ' ' GLY . 74.5 mt 66.58 -86.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 p 64.23 17.82 10.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.128 . . . . 1.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.849 ' H ' HG22 ' A' ' 78' ' ' ILE . . . -41.93 164.56 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.15 . . . . 1.0 110.925 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -138.3 123.15 18.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 1.0 109.598 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.916 HG13 HG13 ' A' ' 154' ' ' VAL . 2.2 mp -92.46 120.28 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.92 116.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 1.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -109.19 108.26 18.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 1.0 110.271 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.05 104.12 0.34 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 1.0 110.055 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.53 8.74 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 1.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.16 126.84 8.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 1.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.626 HG22 ' HA ' ' A' ' 147' ' ' GLU . 58.1 t -61.6 150.55 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 1.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.95 -116.7 0.76 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 1.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.458 ' N ' HG22 ' A' ' 146' ' ' VAL . 72.7 m -138.83 165.52 26.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 1.0 110.359 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.837 ' HD2' HD13 ' A' ' 152' ' ' LEU . 3.1 t80 -134.39 135.79 42.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 1.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 58.6 m-85 -132.21 146.19 51.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 1.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 19.3 mmm-85 -91.73 -16.07 27.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.946 HG22 ' HA ' ' A' ' 101' ' ' ALA . 69.0 p -136.35 155.34 77.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 110.404 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.464 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.3 Cg_endo -74.96 -11.6 21.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 1.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.89 170.73 6.15 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 1.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -24.87 12.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.424 1.75 . . . . 1.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -111.68 20.33 17.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 1.0 109.291 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' LYS . . . -109.3 148.28 31.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -52.48 -174.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.946 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -108.85 134.38 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.959 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 30.5 m-85 -63.39 -36.78 84.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 1.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.505 HG21 HD13 ' A' ' 115' ' ' LEU . 29.3 pt -137.08 115.18 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -98.39 113.25 25.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -40.34 116.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.376 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.618 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.4 20.19 7.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 1.0 111.021 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.07 159.33 34.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 1.0 110.245 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -101.31 168.13 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 133' ' ' GLY . 28.8 m -147.19 144.89 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 1.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.432 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.1 p-10 -134.16 150.99 51.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -40.36 108.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 1.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.56 -25.08 4.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 1.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.41 138.33 31.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.791 HG21 ' CD1' ' A' ' 102' ' ' PHE . 86.6 m -59.75 175.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.635 HD23 ' HB2' ' A' ' 129' ' ' ALA . 0.3 OUTLIER -135.7 -46.68 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 1.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 1.009 ' O ' HD13 ' A' ' 117' ' ' ILE . 27.0 p -174.46 -160.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 108.269 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 1.009 HD13 ' O ' ' A' ' 116' ' ' CYS . 8.9 mm -135.49 150.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.46 HG23 HG13 ' A' ' 127' ' ' ILE . 56.8 t -134.4 119.83 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 109.241 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -89.39 127.37 35.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 1.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.55 167.79 7.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 7.0 mtt 52.06 44.61 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 45.06 35.13 1.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 1.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.85 172.26 17.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.64 127.09 53.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 117' ' ' ILE . 9.0 m-80 -118.38 154.27 32.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.82 ' HG3' HD12 ' A' ' 117' ' ' ILE . 0.9 OUTLIER -111.62 150.49 30.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 1.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.46 HG13 HG23 ' A' ' 118' ' ' VAL . 4.7 mm -113.84 116.06 51.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 1.0 109.327 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -97.59 139.2 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.076 . . . . 1.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.635 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -43.88 133.07 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -121.03 15.47 11.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 1.0 109.357 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 6.9 tttp -176.96 88.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 1.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 81.6 p -39.25 135.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 110.002 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 177.04 -173.22 46.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.549 1.156 . . . . 1.0 111.015 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.0 OUTLIER -109.41 168.22 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 1.0 110.373 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.618 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.0 p -63.29 143.54 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.692 ' HD3' HG12 ' A' ' 154' ' ' VAL . 1.0 OUTLIER -119.62 -45.17 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.55 133.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 1.01 HG23 HG22 ' A' ' 153' ' ' VAL . 1.4 mt -98.69 135.25 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.04 -44.06 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.2 p -70.36 137.82 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 1.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 144' ' ' GLN . 0.2 OUTLIER -100.81 119.52 38.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 1.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.446 ' HB2' ' CG ' ' A' ' 93' ' ' ARG . 18.6 t -38.74 101.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 1.0 109.968 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 121.4 -5.08 10.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 1.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 141' ' ' GLU . 0.1 OUTLIER -87.35 151.77 51.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.408 0.71 . . . . 1.0 110.271 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 150.66 38.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 1.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.728 HG12 ' CD2' ' A' ' 152' ' ' LEU . 5.4 m -119.02 158.21 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.626 ' HA ' HG22 ' A' ' 88' ' ' VAL . 3.7 mt-10 -134.27 165.06 25.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.537 ' N ' HG22 ' A' ' 88' ' ' VAL . 22.6 t80 -59.05 138.41 57.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 1.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 55.37 19.14 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 1.0 109.239 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 36.2 tp10 -86.67 135.11 36.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.371 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 142.39 27.9 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.47 1.773 . . . . 1.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.837 HD13 ' HD2' ' A' ' 91' ' ' PHE . 70.8 mt -119.23 -80.32 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 1.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 1.01 HG22 HG23 ' A' ' 138' ' ' ILE . 8.7 t -117.89 150.28 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.916 HG13 HG13 ' A' ' 82' ' ' ILE . 21.3 t -106.85 126.56 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 1.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.458 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 2.0 mp -117.98 161.39 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.643 ' OE1' HG23 ' A' ' 78' ' ' ILE . 4.0 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 1.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.478 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.532 0.206 . . . . 1.0 111.032 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 70' ' ' MET . 7.7 pt-20 47.41 -174.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 1.0 110.302 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.98 69.47 1.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.258 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.02 10.47 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.78 . . . . 1.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.65 174.54 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 1.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.64 126.81 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 1.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.12 -61.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.75 110.98 0.09 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.623 1.202 . . . . 1.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.727 ' H ' HD13 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -125.45 -177.92 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -106.96 113.51 27.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 1.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.99 121.09 4.28 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.508 1.13 . . . . 1.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.19 103.38 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 1.0 109.655 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.888 HG13 HG13 ' A' ' 154' ' ' VAL . 2.4 mp -88.44 118.72 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 1.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.06 123.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.9 mtt85 -105.51 116.29 31.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 1.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.762 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -40.31 100.45 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 1.0 109.985 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 0.42 8.94 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.419 1.747 . . . . 1.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.08 130.64 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.768 HG22 ' H ' ' A' ' 148' ' ' PHE . 6.7 t -66.89 145.85 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 1.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.17 -120.92 1.12 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 1.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 145' ' ' PRO . 46.5 m -128.86 166.7 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 1.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.768 ' HB2' HG11 ' A' ' 146' ' ' VAL . 5.8 t80 -136.89 137.01 39.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 110.989 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.575 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 63.9 m-85 -131.89 153.07 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.403 1.064 . . . . 1.0 111.055 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.846 ' HD2' HG21 ' A' ' 138' ' ' ILE . 3.3 mtp180 -108.69 -18.58 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.956 HG22 ' HA ' ' A' ' 101' ' ' ALA . 36.9 p -136.78 154.74 76.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 1.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.08 19.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 1.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -159.0 178.66 1.61 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.968 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -75.0 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 1.0 111.037 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -104.06 35.16 2.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 1.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.53 161.1 18.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 1.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -61.4 168.72 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.956 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -108.45 135.05 50.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 1.177 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.846 ' CE1' HG21 ' A' ' 114' ' ' THR . 26.4 m-85 -61.6 -37.64 84.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 1.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.9 pt -137.07 73.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.75 118.89 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.251 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.1 t -40.5 116.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 1.0 109.252 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.696 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 106.5 12.46 24.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 1.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -112.91 171.09 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.406 0.709 . . . . 1.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.721 ' HG2' HG23 ' A' ' 134' ' ' THR . 0.0 OUTLIER -119.92 168.22 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 1.0 109.223 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.7 m -146.72 141.11 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -122.82 149.28 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.4 109.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 1.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.03 -16.15 8.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 1.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.28 136.18 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 1.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.846 HG21 ' CE1' ' A' ' 102' ' ' PHE . 87.5 m -47.89 174.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 110.441 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.525 ' H ' HG22 ' A' ' 114' ' ' THR . 6.8 tp -138.58 -46.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.591 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -177.87 -167.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 125' ' ' ASN . 3.5 mt -134.95 148.03 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 1.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 90' ' ' THR . 41.5 t -129.32 128.29 66.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.536 1.148 . . . . 1.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.35 135.2 42.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -133.41 -176.24 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -37.99 93.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 39.88 57.4 2.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.497 1.123 . . . . 1.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -159.26 128.24 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.5 mtt -102.68 121.77 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.736 ' O ' HG23 ' A' ' 117' ' ' ILE . 7.9 m-80 -124.54 158.51 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.597 1.186 . . . . 1.0 109.212 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -116.65 167.04 11.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 115' ' ' LEU . 4.4 mm -128.2 115.97 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -95.65 145.15 25.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 1.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.489 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -60.45 134.05 56.69 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.136 . . . . 1.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -116.84 15.31 15.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.439 ' NZ ' ' O ' ' A' ' 78' ' ' ILE . 1.7 tmtt? -174.93 93.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 83.8 p -39.95 137.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.96 -173.27 43.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 1.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.721 HG23 ' HG2' ' A' ' 108' ' ' LYS . 6.9 m -110.55 -174.33 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.726 . . . . 1.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.701 ' H ' HG22 ' A' ' 134' ' ' THR . 10.4 p -78.65 142.79 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 1.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.84 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -121.58 -47.18 2.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 1.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.81 133.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.846 HG21 ' HD2' ' A' ' 93' ' ' ARG . 1.6 mt -99.59 117.65 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 1.034 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -87.87 -43.1 12.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' A' ' 91' ' ' PHE . 10.8 p -81.62 137.94 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.418 ' HA ' ' NH1' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -89.95 151.78 21.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.9 t -64.88 85.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 131.67 -5.49 5.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 1.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -81.1 150.94 69.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.791 . . . . 1.0 110.32 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.3 Cg_endo -74.89 158.8 42.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 1.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.768 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.7 m -138.86 158.69 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 1.0 109.302 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.76 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.2 tt0 -128.23 159.92 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.768 ' H ' HG22 ' A' ' 88' ' ' VAL . 22.3 t80 -65.33 130.71 44.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 1.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 18.9 t0 83.2 -5.6 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.22 146.88 52.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.51 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.05 147.42 33.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 1.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' A' ' 85' ' ' SER . 90.0 mt -116.47 -79.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 1.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.759 HG22 HG23 ' A' ' 138' ' ' ILE . 11.0 t -124.23 151.87 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 1.034 HG23 HD21 ' A' ' 139' ' ' LEU . 14.9 t -106.37 124.08 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.464 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.5 mp -114.01 159.9 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.6 tm-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 110.239 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.478 0.18 . . . . 1.0 111.059 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -144.26 60.12 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.65 99.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 1.0 109.269 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.01 128.74 11.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 1.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.9 -61.05 0.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 1.0 109.373 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -177.1 174.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 63.33 119.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 109.394 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.64 144.63 50.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 1.0 110.35 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.512 HD13 ' N ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -136.83 113.25 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.512 ' N ' HD13 ' A' ' 78' ' ' ILE . 8.2 t -126.45 150.51 48.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.23 98.58 1.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 1.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -118.48 161.18 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 1.0 109.57 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.988 ' CD1' HG13 ' A' ' 154' ' ' VAL . 8.6 mm -137.48 120.86 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 1.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.499 HG12 HD12 ' A' ' 152' ' ' LEU . 61.2 t -86.98 116.37 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 1.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -105.33 122.36 45.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 1.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.823 ' HA ' HD11 ' A' ' 152' ' ' LEU . 5.9 t -45.96 105.45 0.47 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 1.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.43 8.9 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 1.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -160.13 134.66 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 1.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.88 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.0 t -68.72 139.53 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 109.253 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.18 -122.3 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 1.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 91' ' ' PHE . 59.4 m -130.63 169.09 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 0.811 . . . . 1.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.795 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.6 t80 -138.93 138.39 37.32 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 1.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.486 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 66.6 m-85 -129.6 161.31 30.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.607 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 7.0 mmm-85 -110.76 -14.2 14.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 1.0 110.305 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.951 HG22 ' HA ' ' A' ' 101' ' ' ALA . 46.2 p -134.51 155.4 79.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 1.0 110.437 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.27 9.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 1.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.508 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.92 178.67 1.37 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.05 -41.96 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.465 1.771 . . . . 1.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -99.95 36.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -118.96 154.29 33.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.385 1.053 . . . . 1.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -66.59 166.69 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.951 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -88.06 133.59 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 1.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.909 ' CE1' HG21 ' A' ' 114' ' ' THR . 20.1 m-85 -56.67 -39.13 73.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 1.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.61 93.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.052 . . . . 1.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.28 125.03 28.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.0 110.25 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.411 ' HA ' HG21 ' A' ' 135' ' ' VAL . 60.8 t -40.26 116.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 1.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.697 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.34 13.28 10.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 1.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -122.61 171.15 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 1.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.437 ' C ' HG13 ' A' ' 109' ' ' VAL . 1.4 pttt -118.02 178.56 4.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 1.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.618 HG21 HD21 ' A' ' 115' ' ' LEU . 31.6 m -154.45 144.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 1.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -118.42 171.91 7.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 1.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.94 108.95 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 1.0 109.369 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.15 -8.04 12.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.563 1.165 . . . . 1.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.46 135.55 34.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 0.712 . . . . 1.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.909 HG21 ' CE1' ' A' ' 102' ' ' PHE . 92.0 m -57.88 147.27 29.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 1.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 129' ' ' ALA . 6.5 mt -114.64 -36.45 4.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 1.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.675 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 174.06 -173.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 1.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.429 HG13 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -127.35 161.61 34.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 1.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.496 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.0 t -146.27 128.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.4 tt0 -84.18 132.62 34.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -161.46 151.69 17.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 1.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.493 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 8.2 mmm 47.51 43.16 15.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 1.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 121' ' ' MET . 9.4 pttm 49.08 44.86 23.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.0 mmt -163.0 140.77 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 1.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -68.34 142.68 55.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 1.0 111.058 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -136.9 103.27 5.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.174 . . . . 1.0 109.369 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.32 157.49 36.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 1.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.496 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -125.89 117.2 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -90.86 129.28 36.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.63 ' HA ' HD12 ' A' ' 115' ' ' LEU . . . -40.45 133.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 1.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.13 14.92 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -174.31 88.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' LYS . 10.3 m -39.17 137.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 1.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.88 -174.71 46.18 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.51 1.131 . . . . 1.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -114.27 168.77 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 0.803 . . . . 1.0 110.393 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.697 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.7 p -59.14 158.12 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 1.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 16.1 tptt -145.22 -46.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 1.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.07 132.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 1.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.931 HG23 HG22 ' A' ' 153' ' ' VAL . 0.8 OUTLIER -104.57 128.02 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.716 HD21 HG23 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -94.86 -46.98 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 1.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.616 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.6 p -79.49 148.13 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.52 169.9 8.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 1.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 18.2 t -77.49 87.51 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.486 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.35 -5.54 7.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.96 150.67 75.35 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.533 0.784 . . . . 1.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.01 158.74 41.98 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.537 1.809 . . . . 1.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.795 HG11 ' HB2' ' A' ' 91' ' ' PHE . 4.0 m -138.45 157.42 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 1.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.64 ' HG3' HG13 ' A' ' 88' ' ' VAL . 5.5 mp0 -131.66 151.08 51.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 1.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.88 ' H ' HG22 ' A' ' 88' ' ' VAL . 8.3 t80 -61.32 136.74 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 1.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.8 t70 84.33 -7.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.46 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 4.1 mt-10 -92.23 148.95 37.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 1.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.594 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -75.0 160.8 39.73 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.509 1.794 . . . . 1.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.823 HD11 ' HA ' ' A' ' 85' ' ' SER . 59.5 mt -127.26 -76.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.931 HG22 HG23 ' A' ' 138' ' ' ILE . 34.7 t -125.72 137.97 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.988 HG13 ' CD1' ' A' ' 82' ' ' ILE . 38.5 t -96.31 124.66 49.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.8 mp -108.67 164.27 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.5 ' CG ' ' HB ' ' A' ' 134' ' ' THR . 7.3 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 1.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' GLU . 3.3 ttt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.52 0.2 . . . . 1.0 111.022 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' MET . 3.4 pm0 38.98 48.6 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 1.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.844 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -45.71 -54.6 15.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.844 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.08 63.79 6.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 1.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -63.01 -61.2 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 1.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . 74.54 -62.08 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 1.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -163.03 148.38 11.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.65 127.52 32.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 1.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.1 mm 65.57 144.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 p -119.03 -65.72 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 1.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.87 115.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.561 1.163 . . . . 1.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.485 ' CG ' ' N ' ' A' ' 82' ' ' ILE . 26.2 t60 -120.94 166.08 14.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 1.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.485 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 14.6 mt -141.09 116.53 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 152' ' ' LEU . 39.3 t -71.47 117.81 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 1.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -104.62 109.74 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.068 . . . . 1.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.863 ' HB3' HD11 ' A' ' 152' ' ' LEU . 2.2 p -44.57 105.98 0.49 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 0.75 8.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 1.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.18 133.92 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 1.0 111.006 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.756 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.7 t -77.44 138.86 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 1.0 109.375 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.99 -123.82 1.25 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 1.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 118' ' ' VAL . 21.9 m -122.23 167.93 12.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 1.0 110.433 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.816 ' HD2' HD13 ' A' ' 152' ' ' LEU . 14.4 t80 -137.73 138.5 39.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 1.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.4 m-85 -136.4 147.59 47.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 1.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.773 ' HD2' HG21 ' A' ' 138' ' ' ILE . 7.0 mtp180 -107.3 -19.26 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 1.017 HG22 ' HA ' ' A' ' 101' ' ' ALA . 40.5 p -136.86 155.14 76.6 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 1.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -10.94 21.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 1.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.454 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.5 OUTLIER -165.47 172.71 4.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 110.027 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -27.0 10.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 1.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.04 24.3 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -107.64 161.89 14.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 1.0 109.206 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -59.18 176.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 1.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.017 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -116.33 135.2 54.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.871 ' CD1' HG21 ' A' ' 114' ' ' THR . 21.5 m-85 -61.51 -38.07 86.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -128.06 88.78 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.36 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 110.1 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.0 110.272 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.0 t -40.23 117.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 1.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.758 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 106.18 6.09 36.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 1.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 165.12 11.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 1.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.62 169.21 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.5 m -147.26 139.1 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.475 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.7 t-20 -124.31 154.67 39.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.24 108.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 1.0 109.403 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.24 -37.98 2.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 1.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.74 135.15 46.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 0.728 . . . . 1.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.871 HG21 ' CD1' ' A' ' 102' ' ' PHE . 94.5 m -53.47 172.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 1.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 115' ' ' LEU . 5.6 mt -135.73 -46.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 1.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.509 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 26.8 p -178.13 -160.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 1.0 108.354 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.611 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.5 mt -139.77 154.9 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.514 ' CG2' HD11 ' A' ' 127' ' ' ILE . 47.3 t -140.05 129.25 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.19 125.5 34.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -151.17 149.53 29.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 1.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 11.8 mtp 47.39 43.41 15.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 121' ' ' MET . 1.2 ptpp? 49.09 44.78 23.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.4 tpt -158.95 131.37 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.77 139.82 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -137.14 103.57 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 1.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -68.24 156.7 37.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 118' ' ' VAL . 3.5 mt -123.12 115.85 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 1.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.0 132.79 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.5 132.97 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 1.0 109.338 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -123.99 15.15 9.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.8 tttp -172.37 86.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 1.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 84.0 p -39.23 130.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 110.036 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -168.97 -172.28 35.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.567 1.167 . . . . 1.0 111.002 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.763 HG22 ' HB3' ' A' ' 156' ' ' GLU . 14.2 t -123.01 147.39 46.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 1.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.758 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.0 p -41.39 160.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.749 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.5 OUTLIER -150.88 -46.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 1.0 109.369 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.793 ' C ' HD13 ' A' ' 138' ' ' ILE . . . 172.95 133.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 1.024 HD12 HG13 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -101.66 112.14 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 1.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.884 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -82.19 -40.84 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 1.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.674 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.3 p -84.99 140.81 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.389 1.055 . . . . 1.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.8 163.15 12.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 1.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.31 100.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 1.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 118.24 -25.53 8.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 1.0 111.039 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.469 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -58.84 151.81 52.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 1.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.4 Cg_endo -75.08 169.29 22.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.582 1.833 . . . . 1.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.624 HG12 ' CD2' ' A' ' 152' ' ' LEU . 2.0 m -143.02 156.44 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 1.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.679 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.1 tp10 -138.31 156.84 47.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.756 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.8 t80 -59.47 138.23 57.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 1.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.3 t70 72.03 6.27 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 1.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.1 tp10 -93.15 136.51 24.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.551 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.97 143.81 29.6 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.789 . . . . 1.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 85' ' ' SER . 33.4 mt -114.63 -79.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.603 1.189 . . . . 1.0 109.329 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 1.024 HG13 HD12 ' A' ' 138' ' ' ILE . 54.6 t -112.64 137.77 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.884 HG23 HD21 ' A' ' 139' ' ' LEU . 69.9 t -99.58 124.63 53.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 1.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.3 mm -111.66 163.95 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.763 ' HB3' HG22 ' A' ' 134' ' ' THR . 1.2 tm-20 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 1.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.488 0.185 . . . . 1.0 110.998 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.78 -42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.838 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -40.56 -54.58 4.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.838 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -74.96 -65.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.512 1.796 . . . . 1.0 111.074 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . 174.04 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.52 130.03 2.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 1.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.68 -65.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.895 ' C ' HD12 ' A' ' 78' ' ' ILE . 1.4 pt-20 -164.44 109.28 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.895 HD12 ' C ' ' A' ' 77' ' ' GLU . 1.2 mp 53.38 21.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 1.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 1.3 t 81.99 -51.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.948 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -43.76 168.31 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 1.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CE1' HD13 ' A' ' 155' ' ' ILE . 4.9 p80 -139.6 122.34 16.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 1.0 109.643 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.528 HD13 ' OE1' ' A' ' 77' ' ' GLU . 4.0 mp -90.73 116.13 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 1.0 109.233 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 152' ' ' LEU . 50.7 t -77.13 117.45 22.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.077 . . . . 1.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -98.5 122.22 41.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 110.363 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.751 ' HA ' HD11 ' A' ' 152' ' ' LEU . 1.4 t -39.05 99.56 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 1.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.14 9.24 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 1.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.45 117.69 3.13 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 1.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.817 HG13 ' HA ' ' A' ' 147' ' ' GLU . 4.6 t -60.67 140.01 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.99 -117.35 0.78 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.402 1.064 . . . . 1.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.512 ' O ' HG13 ' A' ' 118' ' ' VAL . 88.5 m -129.97 168.4 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 1.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.777 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.7 t80 -140.67 139.59 34.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 62.9 m-85 -131.01 162.21 30.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.5 mmm-85 -109.69 -13.73 14.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 1.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.99 HG22 ' HA ' ' A' ' 101' ' ' ALA . 76.5 p -131.84 155.46 81.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 1.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.83 12.51 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.547 1.814 . . . . 1.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -145.51 174.15 3.69 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 -37.82 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 1.0 111.023 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -105.51 45.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.616 1.198 . . . . 1.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.52 153.73 48.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 1.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 166.65 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.99 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -79.43 133.03 36.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 1.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.779 ' CE1' HG21 ' A' ' 114' ' ' THR . 8.4 m-85 -50.47 -41.85 53.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 1.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.945 ' O ' HD12 ' A' ' 103' ' ' ILE . 2.7 pp -132.8 115.07 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.82 116.46 25.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.358 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.5 t -40.74 116.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.537 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.85 16.41 9.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 1.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -120.65 171.09 8.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.772 . . . . 1.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 166.43 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 1.0 109.388 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.506 HG21 HD11 ' A' ' 115' ' ' LEU . 15.0 m -143.03 138.49 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -118.1 143.26 46.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 1.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.41 109.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.91 -17.42 7.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.51 138.68 31.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 0.771 . . . . 1.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.779 HG21 ' CE1' ' A' ' 102' ' ' PHE . 65.4 m -62.78 144.47 56.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.506 HD11 HG21 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -113.3 -33.93 5.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 1.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.576 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 176.17 -173.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 1.0 108.279 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 118' ' ' VAL . 4.9 mt -126.58 160.5 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 1.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 90' ' ' THR . 24.4 t -145.65 125.81 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 1.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.5 tt0 -84.65 130.55 34.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -158.15 152.26 24.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 1.0 109.372 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.85 19.52 2.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.42 39.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.39 150.37 23.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 1.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -73.99 135.01 43.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.407 1.067 . . . . 1.0 110.985 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -132.84 102.67 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.66 ' HG3' HG23 ' A' ' 114' ' ' THR . 6.7 tt0 -66.48 157.79 31.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.467 ' N ' ' CG ' ' A' ' 126' ' ' GLN . 2.8 mm -122.45 115.73 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -92.57 129.86 38.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.07 . . . . 1.0 110.333 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -45.98 143.6 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -123.64 18.16 9.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 1.0 109.282 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.7 tttm 179.83 94.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.7 p -39.42 149.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.497 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 170.65 -172.98 44.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.43 1.082 . . . . 1.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 135' ' ' VAL . 2.5 m -109.8 -175.2 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 0.745 . . . . 1.0 110.383 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.578 ' H ' HG22 ' A' ' 134' ' ' THR . 8.8 p -82.38 138.88 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.664 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -116.92 -46.51 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 109.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.61 140.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 1.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.829 HD12 ' CG1' ' A' ' 153' ' ' VAL . 0.9 OUTLIER -103.55 128.7 56.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.759 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -99.21 -41.99 7.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 1.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.665 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.8 p -83.72 150.35 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -103.89 172.73 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 110.281 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 p -81.01 97.34 7.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 1.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 118.51 -14.46 11.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 1.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 150.44 96.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.507 0.769 . . . . 1.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.63 34.97 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 1.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 91' ' ' PHE . 21.7 m -142.13 158.42 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 1.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.817 ' HA ' HG13 ' A' ' 88' ' ' VAL . 15.3 tt0 -140.62 154.12 46.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 1.0 110.349 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.809 ' H ' HG22 ' A' ' 88' ' ' VAL . 1.4 t80 -60.85 137.83 58.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 1.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.95 -8.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.0 109.368 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.97 144.53 30.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.747 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -74.98 157.59 42.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 1.0 111.06 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 85' ' ' SER . 74.0 mt -124.4 -81.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 1.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.829 ' CG1' HD12 ' A' ' 138' ' ' ILE . 3.4 t -121.27 144.17 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.575 1.172 . . . . 1.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.759 HG23 HD21 ' A' ' 139' ' ' LEU . 49.9 t -104.05 120.55 54.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 1.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.604 HD13 ' CE1' ' A' ' 81' ' ' HIS . 1.6 mp -105.14 163.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 1.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.2 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.557 0.218 . . . . 1.0 111.002 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 66.22 26.42 10.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 1.0 110.335 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.846 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -76.81 -54.63 1.63 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 1.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.846 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -75.02 56.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.414 1.744 . . . . 1.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . 43.52 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 1.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . 68.94 -67.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.175 . . . . 1.0 109.34 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -40.46 154.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 1.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -136.23 105.37 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 110.356 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' GLU . 27.2 pt 40.4 78.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.32 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.504 ' CB ' ' C ' ' A' ' 156' ' ' GLU . 0.3 OUTLIER 73.45 -58.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -37.71 100.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.607 1.192 . . . . 1.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.74 103.2 7.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 1.0 109.664 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.638 HG12 HG13 ' A' ' 154' ' ' VAL . 37.4 mt -86.5 122.49 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.773 HG21 HD23 ' A' ' 115' ' ' LEU . 4.7 t -78.66 126.23 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -111.78 117.22 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.698 ' HB2' HD21 ' A' ' 152' ' ' LEU . 2.7 t -48.34 107.12 0.69 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 1.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.53 8.82 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 1.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.09 153.87 42.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.868 HG22 ' H ' ' A' ' 148' ' ' PHE . 6.1 t -94.29 139.12 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 145' ' ' PRO . . . 157.08 -113.51 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 1.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 95.4 m -135.5 166.11 23.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.752 . . . . 1.0 110.384 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.852 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.6 t80 -134.28 139.1 45.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.2 m-85 -132.77 159.23 40.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 1.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.841 ' HD2' HG21 ' A' ' 138' ' ' ILE . 5.9 mtp180 -115.29 -17.79 11.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 110.336 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.983 HG22 ' HA ' ' A' ' 101' ' ' ALA . 57.4 p -136.08 155.39 77.62 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 1.0 110.444 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -13.5 21.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 1.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -158.98 178.76 1.57 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 1.0 110.03 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 -48.03 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 1.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -99.87 26.69 6.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.439 ' HB2' ' OG ' ' A' ' 96' ' ' SER . . . -103.02 159.8 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -60.17 168.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.983 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -106.68 137.36 44.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 1.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.843 ' O ' HD13 ' A' ' 103' ' ' ILE . 14.0 m-85 -59.91 -39.56 85.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 1.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 102' ' ' PHE . 4.8 mm -132.7 100.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 107' ' ' GLN . 10.1 pt-20 -81.76 112.29 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 1.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.526 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.8 t -40.36 116.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 109.348 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.713 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 112.14 8.78 21.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 1.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.45 ' HB2' ' CG ' ' A' ' 104' ' ' GLU . 6.3 tt0 -114.89 167.07 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 1.0 110.364 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -111.44 160.28 17.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 1.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.46 HG11 HD12 ' A' ' 103' ' ' ILE . 29.2 m -138.18 143.25 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.6 m-80 -125.64 151.17 46.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.5 p -40.08 109.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 1.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.8 -22.47 6.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 1.0 111.044 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.18 134.53 34.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 0.713 . . . . 1.0 109.206 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.829 HG21 ' CE1' ' A' ' 102' ' ' PHE . 95.4 m -53.87 172.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.773 HD23 HG21 ' A' ' 83' ' ' VAL . 3.7 tp -136.64 -45.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.658 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p -178.86 -173.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 108.237 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.47 HD11 ' CE2' ' A' ' 102' ' ' PHE . 2.7 mt -126.39 160.31 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 1.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 90' ' ' THR . 22.0 t -143.78 122.91 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 1.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.43 129.25 34.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -174.51 170.8 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.7 ptt? 42.39 46.15 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 40.94 51.75 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -177.94 161.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 1.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.14 134.31 35.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 1.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -125.56 102.22 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -72.37 157.71 37.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.49 115.76 44.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 1.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -93.23 144.04 25.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.525 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -60.22 135.56 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.13 15.07 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.436 ' HZ1' ' HB2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -169.98 91.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 1.0 109.315 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 88.1 p -39.28 141.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 109.934 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.76 -173.35 43.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.445 1.09 . . . . 1.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.1 m -113.85 164.89 13.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 1.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.713 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.2 p -61.98 151.08 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.852 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -130.94 -48.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 1.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.72 141.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.841 HG21 ' HD2' ' A' ' 93' ' ' ARG . 2.3 mt -102.0 123.36 55.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 1.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.862 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -96.48 -43.9 7.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.596 HG13 ' CE1' ' A' ' 91' ' ' PHE . 8.0 p -72.45 137.68 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 142' ' ' SER . 3.8 tm-20 -96.06 104.48 16.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 1.0 110.261 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 141' ' ' GLU . 8.5 p -36.65 104.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 110.063 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 122.44 -4.46 10.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.123 . . . . 1.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -97.39 153.25 38.45 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 1.0 110.276 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 89' ' ' GLY . 18.3 Cg_endo -74.94 138.99 23.93 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.852 HG11 ' HB2' ' A' ' 91' ' ' PHE . 1.8 m -119.35 166.42 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 1.0 109.292 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.655 ' HA ' HG13 ' A' ' 88' ' ' VAL . 27.5 tt0 -135.18 152.65 51.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 1.07 . . . . 1.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.868 ' H ' HG22 ' A' ' 88' ' ' VAL . 6.7 t80 -61.23 137.3 58.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.5 t70 85.46 -8.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.421 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 4.6 mt-10 -90.04 144.42 31.31 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 110.237 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -74.91 165.72 30.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 1.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 85' ' ' SER . 24.0 mt -132.17 -79.48 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 1.0 109.38 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 138' ' ' ILE . 2.0 t -115.58 155.54 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.862 ' CG2' HD21 ' A' ' 139' ' ' LEU . 19.4 t -110.03 123.35 65.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.392 1.058 . . . . 1.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.2 mp -113.04 163.81 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.504 ' C ' ' CB ' ' A' ' 79' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.561 0.219 . . . . 1.0 111.047 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.22 -59.24 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 1.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.16 84.92 0.17 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 1.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 156.45 43.05 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 1.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.49 82.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 1.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.6 89.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -173.58 125.34 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 1.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.814 ' C ' HD13 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -115.26 59.52 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 1.0 110.353 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.814 HD13 ' C ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER 40.98 -160.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.9 p -92.68 -62.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 109.953 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.419 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -44.05 169.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -115.91 172.9 6.85 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.505 0.767 . . . . 1.0 109.545 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.528 HG12 HG13 ' A' ' 154' ' ' VAL . 69.2 mt -139.46 116.11 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 1.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.891 HG12 HD12 ' A' ' 152' ' ' LEU . 52.5 t -82.54 120.56 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 1.0 109.217 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.679 HH21 ' HA ' ' A' ' 149' ' ' ASP . 68.4 mtp180 -107.15 118.21 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 1.0 110.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.901 ' OG ' HD21 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -38.71 99.24 0.19 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 110.014 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -74.98 -1.07 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.799 . . . . 1.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.03 121.27 6.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 1.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 148' ' ' PHE . 21.5 t -62.4 143.96 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 1.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.92 -118.32 0.87 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 1.0 111.035 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 143' ' ' GLY . 92.0 m -131.49 166.32 21.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 1.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.792 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -137.04 134.14 36.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 59.2 m-85 -126.4 161.96 26.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 1.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.5 mmm-85 -110.54 -13.71 14.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 1.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.99 HG22 ' HA ' ' A' ' 101' ' ' ALA . 39.4 p -136.63 155.54 76.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 1.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -10.6 21.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.78 . . . . 1.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -159.21 175.46 3.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 110.019 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -32.67 5.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 1.0 111.036 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.87 25.47 10.7 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.515 1.134 . . . . 1.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -103.04 152.56 21.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 1.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -52.6 170.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 1.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.99 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -98.5 133.61 42.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 1.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.958 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 19.8 m-85 -56.93 -39.15 73.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 1.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.1 pt -143.29 124.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -99.35 110.99 23.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 1.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.487 ' HA ' HG21 ' A' ' 135' ' ' VAL . 75.3 t -40.3 116.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.538 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.29 28.65 5.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.085 . . . . 1.0 111.054 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.98 171.08 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 1.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -112.87 113.71 25.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 132' ' ' SER . 26.5 m -107.48 142.76 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 1.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.444 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 95.8 m-20 -124.79 147.54 48.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 1.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.24 109.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.572 1.17 . . . . 1.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.41 -16.49 5.15 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 1.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.87 137.59 33.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 1.0 109.243 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.584 HG21 ' CE1' ' A' ' 102' ' ' PHE . 46.7 m -55.3 176.59 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 1.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.612 HD21 HD11 ' A' ' 155' ' ' ILE . 5.2 tp -136.05 -46.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.747 ' O ' HD13 ' A' ' 117' ' ' ILE . 1.2 p -175.9 -173.08 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 1.0 108.284 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.958 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 17.3 mm -124.32 160.82 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 1.0 109.309 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 90' ' ' THR . 6.3 t -143.0 125.62 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -91.09 137.48 32.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.805 ' HB3' ' CG ' ' A' ' 123' ' ' MET . . . -135.91 -176.13 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 122' ' ' LYS . 1.7 mmt -39.64 93.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 40.02 55.22 2.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.805 ' CG ' ' HB3' ' A' ' 120' ' ' ALA . 5.2 ptp -160.41 150.85 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.0 mtm -115.32 124.95 52.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 1.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -115.77 143.58 45.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 1.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.691 ' HG3' HD12 ' A' ' 117' ' ' ILE . 1.1 mt-30 -110.69 138.86 46.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mm -103.11 116.47 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -102.96 137.32 41.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -58.04 132.95 55.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -110.17 13.77 23.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 1.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.0 tttt 178.76 112.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.087 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 58.2 p -39.02 146.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 110.061 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -161.57 -173.16 29.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.18 . . . . 1.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.751 ' O ' HG12 ' A' ' 135' ' ' VAL . 6.5 t -142.26 53.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 0.803 . . . . 1.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 134' ' ' THR . 6.1 p 50.71 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.791 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -166.78 -47.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 1.0 109.283 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.27 133.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.965 HG23 HG22 ' A' ' 153' ' ' VAL . 1.5 mt -100.55 118.73 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -89.84 -36.66 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.369 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' A' ' 91' ' ' PHE . 8.8 p -81.42 159.89 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.89 156.01 23.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.62 93.09 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 1.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 120.55 -23.09 8.07 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.536 1.147 . . . . 1.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.61 151.48 83.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.736 . . . . 1.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.5 Cg_endo -74.94 158.24 42.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 1.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.792 HG11 ' HB2' ' A' ' 91' ' ' PHE . 8.7 m -135.8 156.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 1.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.472 ' HA ' HG13 ' A' ' 88' ' ' VAL . 18.5 tp10 -133.08 151.64 52.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.794 ' H ' HG22 ' A' ' 88' ' ' VAL . 11.9 t80 -60.2 138.56 57.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 1.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.679 ' HA ' HH21 ' A' ' 84' ' ' ARG . 0.0 OUTLIER 85.27 -9.13 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 1.0 109.343 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 5.4 mt-10 -91.57 141.9 26.3 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 1.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.487 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.03 161.93 37.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 1.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.901 HD21 ' OG ' ' A' ' 85' ' ' SER . 17.6 mt -124.54 -76.4 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 1.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.965 HG22 HG23 ' A' ' 138' ' ' ILE . 4.1 t -129.24 139.56 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.594 1.184 . . . . 1.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.791 HG12 ' HD3' ' A' ' 136' ' ' LYS . 38.6 t -100.53 129.05 51.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 1.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.612 HD11 HD21 ' A' ' 115' ' ' LEU . 2.4 mp -112.7 167.86 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.0 109.391 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.646 ' HB3' HG22 ' A' ' 134' ' ' THR . 2.2 tt0 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 1.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.554 0.216 . . . . 1.0 111.001 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 16.4 mt-10 -65.2 125.23 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 1.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.855 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 167.93 -54.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.855 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.09 58.33 4.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 1.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.03 112.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.14 66.22 8.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.245 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 53.05 177.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 64.7 70.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 1.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 tp -116.3 60.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.6 1.187 . . . . 1.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.9 p -55.35 -59.4 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 110.049 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.37 126.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.555 1.16 . . . . 1.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.654 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -133.35 110.39 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 1.0 109.517 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.892 ' CD1' HG13 ' A' ' 154' ' ' VAL . 35.9 mm -91.34 116.02 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.854 HG11 HD11 ' A' ' 115' ' ' LEU . 70.6 t -79.68 117.37 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.083 . . . . 1.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -119.17 129.23 54.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.697 ' OG ' HD11 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -57.78 109.77 2.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 110.012 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.51 8.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.501 1.79 . . . . 1.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.2 126.58 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 1.0 111.034 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.787 HG22 ' HA ' ' A' ' 147' ' ' GLU . 19.8 t -49.13 150.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.534 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 161.8 -134.06 3.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 1.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 143' ' ' GLY . 84.8 m -139.17 126.85 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.767 . . . . 1.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.643 ' HD2' HD13 ' A' ' 152' ' ' LEU . 4.7 t80 -90.27 133.83 34.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 1.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 40.8 m-85 -130.0 146.69 51.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.542 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 20.5 mmm-85 -95.64 -13.69 24.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 1.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.916 HG22 ' HA ' ' A' ' 101' ' ' ALA . 27.6 p -135.6 155.45 78.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 1.0 110.381 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -25.66 11.66 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.477 1.777 . . . . 1.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.49 177.59 1.77 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 1.0 109.986 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 -41.35 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 1.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -108.11 54.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.44 161.12 35.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 167.02 10.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 1.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.916 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.47 133.83 34.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.0 109.371 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' A' ' 114' ' ' THR . 14.0 m-85 -53.26 -40.82 64.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 1.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 22.8 pt -140.6 125.66 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 1.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' VAL . 18.7 mm-40 -102.0 119.72 39.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 1.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' A' ' 135' ' ' VAL . 79.2 t -40.42 116.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 1.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.627 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 115.71 14.93 7.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.414 1.071 . . . . 1.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -125.89 165.55 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 1.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 165.39 11.61 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.48 1.112 . . . . 1.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.15 140.29 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 1.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -117.7 146.22 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.41 109.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.45 -11.88 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 1.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.8 137.81 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.747 HG23 ' HG3' ' A' ' 126' ' ' GLN . 61.8 m -66.34 142.15 57.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 1.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.035 HD21 HG22 ' A' ' 127' ' ' ILE . 1.3 pp -112.64 -31.99 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 1.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.608 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.1 p -177.39 -170.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 1.0 108.217 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.732 HD13 ' HA ' ' A' ' 126' ' ' GLN . 24.9 mm -130.62 156.37 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 1.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.94 117.4 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 1.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -99.18 133.17 43.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 1.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -167.24 155.54 9.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 1.0 109.399 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.3 mtp 49.93 31.61 4.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 1.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 59.21 44.67 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -151.07 153.28 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.5 ttp -92.3 137.31 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 1.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -137.05 92.13 2.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 1.0 109.357 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.747 ' HG3' HG23 ' A' ' 114' ' ' THR . 5.7 tt0 -65.96 142.61 57.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 1.0 110.313 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 1.035 HG22 HD21 ' A' ' 115' ' ' LEU . 9.0 mm -103.47 115.82 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.21 125.78 41.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.64 133.21 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 109.233 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -115.3 15.08 16.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.2 tmtp? -169.94 88.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.09 . . . . 1.0 109.39 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' LYS . 59.8 p -39.3 138.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.52 -173.05 43.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 1.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 135' ' ' VAL . 5.5 m -111.59 169.07 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 1.0 110.447 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.627 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.0 p -63.7 141.74 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.776 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -121.93 -45.17 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 1.0 109.379 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.76 133.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 1.0 109.239 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.954 HG23 HG22 ' A' ' 153' ' ' VAL . 1.4 mt -99.85 133.06 44.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 1.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.415 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -106.95 -44.52 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 1.0 109.287 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.605 HG21 ' HB3' ' A' ' 91' ' ' PHE . 14.4 p -70.66 144.43 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 1.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 143' ' ' GLY . 1.1 tp10 -103.67 140.58 37.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 1.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.6 p -50.18 92.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 1.0 109.975 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 132.26 -24.49 3.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 1.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 148.0 54.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 1.0 110.265 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.09 21.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 1.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.753 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.4 m -138.83 159.11 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.787 ' HA ' HG22 ' A' ' 88' ' ' VAL . 4.1 tt0 -138.94 173.13 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 15.0 t80 -69.08 114.42 7.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 1.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.31 11.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 1.0 109.319 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.27 145.7 56.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.524 ' O ' HD23 ' A' ' 152' ' ' LEU . 18.1 Cg_endo -75.0 159.04 41.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.563 1.823 . . . . 1.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.697 HD11 ' OG ' ' A' ' 85' ' ' SER . 90.0 mt -136.48 -80.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.954 HG22 HG23 ' A' ' 138' ' ' ILE . 22.0 t -126.58 154.48 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.892 HG13 ' CD1' ' A' ' 82' ' ' ILE . 72.9 t -107.75 122.3 61.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 1.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -115.99 163.77 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.435 1.084 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 11.7 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.47 0.176 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 72' ' ' ALA . 2.6 tp10 -177.5 -59.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 71' ' ' GLU . . . -39.55 99.96 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 1.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.04 91.68 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.559 1.821 . . . . 1.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.83 157.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.542 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -71.52 77.68 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 1.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . 74.53 -62.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 1.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.04 59.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.6 tt -174.17 155.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.417 ' HB3' ' CG ' ' A' ' 156' ' ' GLU . 48.1 m -166.26 90.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 110.059 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.61 93.49 0.1 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 1.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.647 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -115.73 101.15 8.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 0.766 . . . . 1.0 109.55 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.626 HD13 HG13 ' A' ' 154' ' ' VAL . 4.0 mm -82.64 123.8 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 1.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.647 HG22 ' CE1' ' A' ' 81' ' ' HIS . 59.6 t -87.77 116.38 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 1.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -106.71 123.24 47.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.765 ' HB2' HD21 ' A' ' 152' ' ' LEU . 4.3 t -55.21 108.69 1.24 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.28 9.13 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.504 1.791 . . . . 1.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 ttp -142.07 154.3 44.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.834 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.7 t -94.6 138.79 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 145' ' ' PRO . . . 157.81 -113.76 0.58 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 1.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 86.1 m -136.7 161.5 35.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.382 0.696 . . . . 1.0 110.449 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.825 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -128.18 136.9 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 1.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 50.8 m-85 -132.08 159.7 38.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 1.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.79 ' HD2' HG21 ' A' ' 138' ' ' ILE . 1.0 OUTLIER -114.76 -17.59 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 1.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 1.003 HG22 ' HA ' ' A' ' 101' ' ' ALA . 75.4 p -135.27 155.29 78.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -10.41 21.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 1.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -163.6 178.79 1.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 110.039 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -50.54 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.557 1.82 . . . . 1.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.46 31.84 2.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 1.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -111.51 154.71 24.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 1.0 109.215 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.87 169.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.003 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -106.49 137.61 44.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 1.0 109.292 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 1.004 ' CD2' HD11 ' A' ' 117' ' ' ILE . 10.7 m-85 -57.9 -40.57 80.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 1.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.587 HD13 HG11 ' A' ' 109' ' ' VAL . 1.1 tp -132.53 103.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.176 . . . . 1.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -82.34 112.96 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 1.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.579 HG22 HD11 ' A' ' 138' ' ' ILE . 90.1 t -40.06 116.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.651 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.78 11.13 17.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 1.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -117.49 167.32 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 1.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 15.2 tttp -111.22 165.02 12.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 1.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.587 HG11 HD13 ' A' ' 103' ' ' ILE . 28.1 m -143.83 142.83 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 15.8 m-80 -120.94 148.62 43.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.5 p -39.8 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 1.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.48 -19.29 6.32 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.565 1.166 . . . . 1.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.86 135.25 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 0.741 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.836 HG21 ' CE1' ' A' ' 102' ' ' PHE . 94.1 m -52.92 172.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.47 1.106 . . . . 1.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.734 HD23 ' HB2' ' A' ' 129' ' ' ALA . 0.1 OUTLIER -137.51 -45.43 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 1.0 109.353 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.577 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.3 p -174.09 -172.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 108.272 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 1.004 HD11 ' CD2' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -126.23 157.92 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 1.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' THR . 76.8 t -138.48 116.71 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 1.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.47 126.13 35.45 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 1.0 110.244 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -122.69 -175.88 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 1.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -47.29 91.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 1.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 45.91 41.03 7.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 1.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.17 106.77 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 1.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 ttp -80.72 127.98 33.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 1.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 117' ' ' ILE . 7.4 m120 -126.77 157.57 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -124.76 156.34 37.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 1.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 115' ' ' LEU . 6.8 mm -115.82 116.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 1.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -103.17 126.56 50.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 1.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.734 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -42.12 133.03 3.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 1.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -116.16 12.34 15.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 1.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 4.0 tttt -169.44 93.49 0.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 1.0 109.244 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 72.1 p -38.76 136.7 0.71 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.554 1.159 . . . . 1.0 109.99 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.23 -172.6 41.12 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.536 1.147 . . . . 1.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.8 m -113.22 167.01 10.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.795 . . . . 1.0 110.451 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.651 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.4 p -63.22 147.34 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.668 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -124.98 -48.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 1.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.17 134.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.235 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.836 HG23 HG22 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -94.42 126.1 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 1.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.837 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -99.49 -42.83 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.652 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.7 p -74.93 137.87 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 1.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 1.2 mt-10 -95.53 104.55 16.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' GLU . 6.5 t -37.6 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 1.0 110.062 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.92 -5.32 6.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 1.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.483 ' NE2' HG23 ' A' ' 140' ' ' VAL . 5.7 pt20 -97.24 152.4 38.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 1.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 89' ' ' GLY . 18.4 Cg_endo -75.04 139.33 24.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.584 1.834 . . . . 1.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.825 HG11 ' HB2' ' A' ' 91' ' ' PHE . 1.1 m -120.54 165.78 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 1.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.6 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.1 mt-10 -133.65 155.46 49.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 1.0 110.373 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.834 ' H ' HG22 ' A' ' 88' ' ' VAL . 10.3 t80 -61.33 136.88 58.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 110.971 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 83.98 -6.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 1.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 47.6 mm-40 -87.92 148.44 43.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 110.239 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 169.0 23.57 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 1.0 111.013 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.765 HD21 ' HB2' ' A' ' 85' ' ' SER . 28.0 mt -137.56 -81.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.836 HG22 HG23 ' A' ' 138' ' ' ILE . 24.4 t -117.62 160.93 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 1.0 109.377 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.837 ' CG2' HD21 ' A' ' 139' ' ' LEU . 39.4 t -115.75 122.18 68.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 1.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.537 HD11 HD11 ' A' ' 115' ' ' LEU . 2.2 mp -113.13 163.83 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.498 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 20.5 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.559 0.219 . . . . 1.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -166.83 106.38 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 56.7 92.01 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 101.49 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.448 1.762 . . . . 1.0 111.026 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.79 -61.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 1.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.93 125.36 39.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 1.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 62.8 174.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 64.21 109.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 110.299 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.674 HG22 ' H ' ' A' ' 80' ' ' GLY . 31.9 mt -89.81 145.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.65 29.74 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 1.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.674 ' H ' HG22 ' A' ' 78' ' ' ILE . . . 70.64 128.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 1.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.43 103.22 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 1.0 109.567 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.891 ' CG1' HG13 ' A' ' 154' ' ' VAL . 13.4 mt -90.2 117.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.822 HG21 HD23 ' A' ' 115' ' ' LEU . 27.0 t -66.76 118.21 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.553 1.158 . . . . 1.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -105.88 107.21 18.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 1.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.504 ' HB2' HD21 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -42.27 106.51 0.46 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 110.027 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 0.46 8.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 1.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.77 156.37 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 1.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.004 HG13 ' HA ' ' A' ' 147' ' ' GLU . 2.8 t -97.57 140.42 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.96 -117.16 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.417 1.073 . . . . 1.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 91' ' ' PHE . 54.4 m -131.56 168.28 17.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 1.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.802 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.7 t80 -137.37 136.85 38.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 1.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.566 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 67.4 m-85 -129.97 151.3 50.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 1.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.501 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 21.6 mmm-85 -97.48 -17.09 19.84 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.097 . . . . 1.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.931 HG22 ' HA ' ' A' ' 101' ' ' ALA . 41.3 p -134.46 155.45 79.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.474 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.2 Cg_endo -75.07 -28.31 9.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.59 1.837 . . . . 1.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.92 178.71 1.37 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 1.0 110.008 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -74.99 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.466 1.772 . . . . 1.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.66 50.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 1.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.71 158.32 42.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 1.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -67.1 171.7 5.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.13 . . . . 1.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.931 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.85 133.49 37.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 1.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.869 ' CD1' HG21 ' A' ' 114' ' ' THR . 25.6 m-85 -58.85 -38.18 78.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.474 HD12 HG11 ' A' ' 153' ' ' VAL . 15.8 pt -132.11 91.64 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.06 113.3 14.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.359 1.037 . . . . 1.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.416 ' HA ' HG21 ' A' ' 135' ' ' VAL . 55.0 t -40.1 116.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.795 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.09 11.12 22.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.453 1.096 . . . . 1.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.48 164.63 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.379 0.693 . . . . 1.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.485 ' C ' ' CD ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -112.34 153.95 26.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.434 HG21 HD11 ' A' ' 115' ' ' LEU . 23.2 m -129.76 131.11 66.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.414 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 19.0 t-20 -116.18 152.52 33.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.31 108.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 1.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.5 -17.57 8.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.161 . . . . 1.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.71 135.5 33.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 0.805 . . . . 1.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.869 HG21 ' CD1' ' A' ' 102' ' ' PHE . 88.8 m -56.26 174.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.822 HD23 HG21 ' A' ' 83' ' ' VAL . 3.3 tp -136.18 -46.9 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.596 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -178.59 -159.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 1.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.612 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.2 mt -138.59 155.7 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 1.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' THR . 37.2 t -141.18 124.36 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 1.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -83.24 128.54 34.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.17 155.08 26.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 1.0 109.253 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.4 mmm 47.13 42.47 13.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 1.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 121' ' ' MET . 9.6 ptpp? 48.82 45.73 22.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 1.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.64 144.45 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 1.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.3 mtm -74.55 134.25 42.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 1.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -129.7 103.1 6.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -68.39 155.71 39.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.7 mm -121.18 115.78 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 1.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -93.67 140.56 29.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 1.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.73 133.02 37.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.95 14.42 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -177.25 95.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.1 p -39.21 129.92 1.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.41 -172.19 26.22 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.423 1.077 . . . . 1.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.4 m -126.74 151.97 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 0.716 . . . . 1.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.795 HG11 ' H ' ' A' ' 106' ' ' GLY . 13.0 p -50.72 137.88 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.684 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -125.04 -41.49 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.65 132.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 1.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 1.061 HG23 HG22 ' A' ' 153' ' ' VAL . 1.3 mt -98.76 133.64 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.778 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -103.88 -46.13 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.595 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.1 p -71.73 163.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 1.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.421 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.5 OUTLIER -115.4 169.71 8.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 1.0 110.339 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.6 t -83.24 87.81 6.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 1.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 124.84 -5.52 8.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 1.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -80.25 149.82 69.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.429 0.723 . . . . 1.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 156.99 42.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.41 1.742 . . . . 1.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.802 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.8 m -138.83 162.23 28.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 1.004 ' HA ' HG13 ' A' ' 88' ' ' VAL . 9.3 pt-20 -137.89 155.79 48.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.823 ' H ' HG22 ' A' ' 88' ' ' VAL . 20.5 t80 -57.47 139.52 53.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 11.9 t0 81.26 -2.53 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 109.345 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 147' ' ' GLU . 7.2 tm-20 -92.74 137.03 24.33 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 1.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.2 Cg_endo -75.01 156.97 42.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.462 1.77 . . . . 1.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 64.1 mt -119.93 -80.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 1.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 1.061 HG22 HG23 ' A' ' 138' ' ' ILE . 40.4 t -117.24 137.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.891 HG13 ' CG1' ' A' ' 82' ' ' ILE . 6.5 t -93.83 122.76 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 1.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 155' ' ' ILE . 15.7 mm -114.91 163.95 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 109.19 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.505 ' CB ' ' CD ' ' A' ' 136' ' ' LYS . 3.2 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 1.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.646 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 36.9 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.505 0.193 . . . . 1.0 110.981 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 60.82 66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.77 154.54 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 1.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.28 2.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.804 . . . . 1.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.61 -63.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 1.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.09 168.71 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 70' ' ' MET . . . 59.41 103.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 1.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 68.86 154.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 1.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 79' ' ' SER . 12.1 mt -83.69 -68.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 1.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER 80.79 36.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 1.0 109.986 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.32 121.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.117 . . . . 1.0 110.96 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -113.63 156.36 23.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 1.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.58 116.18 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 1.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.758 HG12 HD12 ' A' ' 152' ' ' LEU . 51.2 t -83.01 119.98 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 1.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -111.79 128.1 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 1.0 110.231 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.707 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -50.2 106.36 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.056 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.4 8.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 1.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.6 ptp -166.45 134.48 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 1.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 148' ' ' PHE . 25.8 t -62.3 138.04 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.75 -145.99 9.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 1.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 23.6 m -121.09 121.16 37.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 1.0 110.344 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.595 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 10.1 t80 -85.97 132.22 34.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 48.5 m-85 -128.84 142.91 50.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.069 . . . . 1.0 110.997 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.545 ' HD3' HG21 ' A' ' 138' ' ' ILE . 23.4 mmm-85 -92.8 -15.71 26.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 1.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.945 HG22 ' HA ' ' A' ' 101' ' ' ALA . 66.5 p -132.04 155.46 81.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 110.405 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -29.3 8.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 1.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -142.65 178.67 1.41 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 1.0 109.966 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.12 -48.31 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 1.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -95.71 43.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 1.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.51 148.74 49.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 1.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.34 169.61 2.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 1.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.945 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -87.48 133.28 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 1.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.936 ' CE1' HG21 ' A' ' 114' ' ' THR . 10.0 m-85 -52.5 -41.12 63.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 pp -141.69 108.59 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 1.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -87.53 126.64 35.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 1.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.627 HG22 HD11 ' A' ' 138' ' ' ILE . 56.1 t -40.29 116.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.666 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 115.03 9.1 13.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 1.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -115.42 168.08 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 1.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.81 175.58 5.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 1.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.789 HG21 HD21 ' A' ' 115' ' ' LEU . 27.3 m -150.74 142.64 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 1.0 109.245 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -125.93 148.16 49.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.42 108.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.59 2.85 12.93 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.115 . . . . 1.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.1 136.47 47.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 1.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.936 HG21 ' CE1' ' A' ' 102' ' ' PHE . 87.2 m -62.71 141.38 58.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.789 HD21 HG21 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -112.73 -32.92 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 1.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 30.0 p -179.98 -165.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 108.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.506 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.9 mt -138.92 155.76 27.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.504 ' CG2' HD11 ' A' ' 127' ' ' ILE . 59.4 t -135.48 122.98 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -96.44 122.22 39.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 1.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -165.36 171.77 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 15.5 ptm 42.54 45.93 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 1.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 41.61 51.64 3.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 1.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.15 155.38 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 1.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.6 mtm -83.47 144.58 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 1.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -139.42 93.06 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 1.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -64.15 157.17 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 1.0 110.259 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.504 HD11 ' CG2' ' A' ' 118' ' ' VAL . 4.5 mm -117.3 115.99 50.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 1.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.32 126.15 42.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 1.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.787 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -40.44 133.15 1.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 1.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.69 15.95 14.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 1.0 109.208 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 7.9 tttm -174.28 89.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' LYS . 82.8 p -39.4 138.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 1.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 178.12 -175.12 47.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 1.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.444 ' HB ' ' CG ' ' A' ' 156' ' ' GLU . 0.9 OUTLIER -113.4 160.27 18.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 0.781 . . . . 1.0 110.371 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.666 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.0 p -50.79 161.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 1.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.554 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -146.72 -48.11 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.61 133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.85 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -105.87 121.9 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.817 HD21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -91.09 -40.37 11.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 1.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 91' ' ' PHE . 9.4 p -87.05 139.42 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 1.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 144' ' ' GLN . 3.2 pt-20 -103.28 149.33 24.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 110.242 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.2 p -49.25 99.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 1.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 123.85 -35.56 3.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 1.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 141' ' ' GLU . 0.7 OUTLIER -52.64 134.9 45.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 1.0 110.364 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.4 Cg_endo -74.99 157.78 42.63 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.528 1.804 . . . . 1.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.0 m -136.95 157.89 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 1.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 1.9 tt0 -127.54 167.95 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 110.25 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.662 ' H ' HG22 ' A' ' 88' ' ' VAL . 21.3 t80 -65.22 128.41 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 84.31 3.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.476 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 57.4 mm-40 -89.03 151.15 46.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 1.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.634 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.95 161.56 38.68 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.486 1.782 . . . . 1.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.758 HD12 HG12 ' A' ' 83' ' ' VAL . 67.6 mt -129.84 -81.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.85 HG22 HG23 ' A' ' 138' ' ' ILE . 12.5 t -134.38 144.28 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 1.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.817 HG23 HD21 ' A' ' 139' ' ' LEU . 67.1 t -97.58 122.97 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -107.8 163.73 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 13.1 pt-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 1.0 110.26 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.1 mmm . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.545 0.212 . . . . 1.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.2 72.94 7.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 1.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.68 92.03 27.72 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 1.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.782 . . . . 1.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 73' ' ' PRO . . . 74.5 -61.97 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.228 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . 72.2 -62.06 0.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 1.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.23 131.02 54.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 1.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.739 ' O ' HG22 ' A' ' 78' ' ' ILE . 2.2 mm-40 -138.53 170.83 15.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 1.0 110.354 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 77' ' ' GLU . 4.3 tt 51.8 177.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.78 75.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 1.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -37.77 157.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 1.0 110.975 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.611 ' CE1' HD12 ' A' ' 155' ' ' ILE . 0.3 OUTLIER -124.82 129.15 49.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 0.709 . . . . 1.0 109.649 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.533 HG13 HG13 ' A' ' 154' ' ' VAL . 2.8 mp -102.49 116.33 45.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 1.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.625 HG12 HD12 ' A' ' 152' ' ' LEU . 21.9 t -73.73 118.39 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 1.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -105.81 123.74 48.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.816 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -43.29 102.5 0.28 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 1.0 109.951 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.5 8.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 1.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 mtp -163.02 126.36 2.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.856 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.9 t -59.98 139.22 19.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.37 -125.67 1.47 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.458 1.099 . . . . 1.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.437 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 87.4 m -126.76 167.42 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 1.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.769 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.9 t80 -139.95 137.68 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.513 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 57.7 m-85 -129.15 157.86 40.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 111.021 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -106.16 -13.65 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 1.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 1.014 HG22 ' HA ' ' A' ' 101' ' ' ALA . 43.5 p -135.39 155.67 78.43 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 1.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.05 20.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 1.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.2 OUTLIER -158.3 172.8 5.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 110.033 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.04 -32.95 4.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 1.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -113.79 23.18 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -101.84 158.8 15.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 1.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 173.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.014 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.51 133.08 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.704 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 16.1 m-85 -54.12 -39.64 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.785 HG21 HD23 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -136.44 117.37 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 1.0 109.386 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 1.4 mt-10 -91.24 110.92 22.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 1.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.444 ' HA ' HG21 ' A' ' 135' ' ' VAL . 96.3 t -40.3 116.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.556 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 102.96 29.81 5.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 1.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -120.86 171.09 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.77 . . . . 1.0 110.35 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.0 127.21 53.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 132' ' ' SER . 29.1 m -124.6 144.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.465 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 6.8 m120 -127.14 147.78 50.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.17 108.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 1.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.67 -15.62 5.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.412 1.07 . . . . 1.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.91 134.05 34.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 1.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.863 HG23 ' CD ' ' A' ' 126' ' ' GLN . 11.3 m -57.46 144.58 36.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 1.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 155' ' ' ILE . 2.7 mt -111.76 -30.43 7.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.481 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.3 p 176.47 -172.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 108.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.704 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 16.9 mm -126.96 159.47 36.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.492 ' CG2' HD11 ' A' ' 127' ' ' ILE . 2.9 t -142.58 128.56 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.097 . . . . 1.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.437 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.5 tt0 -92.18 140.99 29.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 1.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -138.23 -175.96 4.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.7 mmm -43.19 92.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 120' ' ' ALA . 2.9 mtmp? 40.15 48.51 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.3 ttp -157.12 124.43 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 1.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.3 ttm -88.35 136.91 32.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.447 ' O ' HG23 ' A' ' 117' ' ' ILE . 4.8 m120 -128.53 146.37 50.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.863 ' CD ' HG23 ' A' ' 114' ' ' THR . 0.3 OUTLIER -117.81 139.3 51.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.492 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.0 OUTLIER -104.04 117.6 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' ALA . 1.2 pm0 -102.47 126.34 49.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' GLU . . . -40.23 132.93 1.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 1.0 109.37 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.91 11.32 30.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 132' ' ' SER . 18.4 ttmt -176.49 106.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.138 . . . . 1.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 53.6 p -39.1 152.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 109.943 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.32 -173.27 40.94 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.532 1.145 . . . . 1.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.747 ' O ' HG12 ' A' ' 135' ' ' VAL . 3.5 m -133.56 59.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 1.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.747 HG12 ' O ' ' A' ' 134' ' ' THR . 6.7 p 50.67 177.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.68 ' H ' HG22 ' A' ' 135' ' ' VAL . 1.0 OUTLIER -165.3 -50.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 109.364 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.61 136.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.741 HG23 HG22 ' A' ' 153' ' ' VAL . 1.7 mm -98.97 138.76 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.9 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -106.23 -47.68 3.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 1.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 91' ' ' PHE . 7.5 p -72.41 168.41 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.534 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.3 tp10 -117.98 160.96 20.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 1.0 110.244 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.4 t -74.63 102.81 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.513 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 105.98 -5.77 39.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 1.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.467 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -78.32 150.07 76.53 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 1.0 110.35 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -74.95 159.27 41.74 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.517 1.799 . . . . 1.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.769 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.2 m -139.37 157.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 1.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.619 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.8 mt-10 -130.34 155.51 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.856 ' H ' HG22 ' A' ' 88' ' ' VAL . 14.5 t80 -62.45 135.6 57.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 9.2 t70 83.63 -6.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.465 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 29.9 mm-40 -87.6 149.24 45.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.9 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.99 160.43 40.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.422 1.748 . . . . 1.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.816 HD11 ' HA ' ' A' ' 85' ' ' SER . 82.4 mt -132.51 -81.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.573 1.17 . . . . 1.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.741 HG22 HG23 ' A' ' 138' ' ' ILE . 55.5 t -119.6 150.61 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.876 HG23 HD21 ' A' ' 139' ' ' LEU . 43.6 t -116.59 131.3 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 109.361 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 1.07 HD11 HD21 ' A' ' 115' ' ' LEU . 24.9 mt -124.97 164.24 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.3 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.9 ptp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.551 0.215 . . . . 1.0 111.053 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 73' ' ' PRO . 38.2 mm-40 -116.6 -35.64 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 1.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' GLU . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.96 -29.5 8.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.582 1.833 . . . . 1.0 111.079 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.13 108.7 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 1.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.55 -81.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -175.7 81.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.393 1.058 . . . . 1.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 131' ' ' LYS . 1.4 tt0 173.87 50.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 1.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' SER . 4.6 pt 43.72 27.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 1.0 109.239 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' ILE . 5.2 t 39.22 64.55 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 1.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.54 107.61 1.73 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -104.38 156.84 17.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.611 0.83 . . . . 1.0 109.605 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.785 ' CD1' HG13 ' A' ' 154' ' ' VAL . 6.2 mm -132.15 115.79 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 1.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 155' ' ' ILE . 57.8 t -81.14 116.42 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 1.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -105.11 125.09 50.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.426 1.078 . . . . 1.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.838 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -45.46 105.88 0.5 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 1.0 110.05 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.6 8.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 1.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.05 132.84 5.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.824 HG22 ' H ' ' A' ' 148' ' ' PHE . 2.9 t -66.5 140.3 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.29 -122.69 1.18 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 1.0 111.065 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 91' ' ' PHE . 98.7 m -129.14 169.0 15.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 1.0 110.385 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.791 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.7 t80 -139.61 135.62 33.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 69.0 m-85 -128.42 159.73 34.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.463 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 5.0 mmm-85 -109.2 -14.23 14.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 1.0 110.333 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.971 HG22 ' HA ' ' A' ' 101' ' ' ALA . 63.2 p -132.99 155.42 81.16 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 1.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -28.69 8.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.577 1.83 . . . . 1.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -144.58 178.65 1.38 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 1.0 110.018 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.96 -50.86 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.459 1.768 . . . . 1.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -93.92 45.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.86 165.8 18.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 1.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -75.79 169.05 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 1.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.971 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.87 133.13 34.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 1.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.925 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.4 m-85 -54.83 -39.95 69.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.446 1.091 . . . . 1.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 103' ' ' ILE . 5.8 tt -140.31 100.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.503 ' HG2' ' HB3' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -85.79 125.91 33.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.413 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.4 t -39.7 116.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.7 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 108.69 22.87 6.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.59 1.181 . . . . 1.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.8 164.55 21.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 0.818 . . . . 1.0 110.271 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 109' ' ' VAL . 55.7 tttm -113.8 167.93 10.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 34.7 m -148.21 148.99 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 1.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.2 m-80 -127.45 146.65 50.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.45 1.094 . . . . 1.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.479 HG22 ' C ' ' A' ' 130' ' ' ASP . 3.1 t -39.91 108.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 1.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.25 -16.18 7.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.424 1.078 . . . . 1.0 111.048 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.54 138.11 31.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 0.795 . . . . 1.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.925 HG21 ' CE1' ' A' ' 102' ' ' PHE . 90.5 m -58.61 141.69 51.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 1.0 110.442 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.818 HD21 ' CG2' ' A' ' 127' ' ' ILE . 0.4 OUTLIER -112.64 -32.64 6.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 115' ' ' LEU . 19.8 p 176.82 -170.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 1.0 108.357 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.47 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.5 mt -133.3 156.82 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.4 t -137.99 133.55 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.4 tt0 -95.25 131.09 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 1.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -169.85 167.09 9.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 1.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.2 ptp 42.51 45.47 3.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 1.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.36 51.68 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.47 154.55 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 111.028 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 mtt -78.0 144.78 36.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 110.964 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.4 97.19 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -69.72 155.12 41.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.818 ' CG2' HD21 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -117.69 117.67 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 1.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -93.68 114.59 26.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.04 133.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.479 ' C ' HG22 ' A' ' 111' ' ' VAL . 31.8 t70 -122.31 11.77 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.466 ' HD3' ' CG ' ' A' ' 77' ' ' GLU . 2.2 tttt -154.54 83.11 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 1.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.476 ' H ' HG23 ' A' ' 111' ' ' VAL . 56.0 p -38.84 137.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.94 -175.3 46.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 1.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.9 m -114.64 169.34 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 1.0 110.385 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.7 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.1 p -62.19 159.29 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -145.48 -47.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.365 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 169.91 132.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 1.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.834 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -101.24 132.0 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.862 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -100.17 -46.63 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 91' ' ' PHE . 7.1 p -76.88 153.39 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.17 167.9 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 1.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.0 t -79.87 88.56 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.393 1.058 . . . . 1.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.81 -5.49 7.94 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.575 1.172 . . . . 1.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.469 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -80.43 150.94 71.42 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.505 0.768 . . . . 1.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.4 Cg_endo -75.01 158.44 42.18 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 1.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.791 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.2 m -138.44 158.17 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 1.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.692 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.3 mt-10 -131.91 150.51 52.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.824 ' H ' HG22 ' A' ' 88' ' ' VAL . 8.4 t80 -61.41 136.77 58.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 1.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.8 t70 84.77 -7.65 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.458 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.9 mt-10 -91.43 149.24 39.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.638 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.94 163.21 35.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.539 1.81 . . . . 1.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.838 HD11 ' HA ' ' A' ' 85' ' ' SER . 69.0 mt -132.1 -80.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.834 HG22 HG23 ' A' ' 138' ' ' ILE . 23.1 t -120.22 149.01 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.862 ' CG2' HD21 ' A' ' 139' ' ' LEU . 19.1 t -105.23 119.78 54.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.6 mp -103.1 163.93 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 1.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.468 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.558 0.218 . . . . 1.0 110.999 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 70' ' ' MET . 6.6 pt-20 47.22 -173.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 1.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.81 92.0 0.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 168.89 23.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.552 1.817 . . . . 1.0 111.063 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 44.75 65.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.66 163.69 8.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.71 -61.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 1.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -149.85 75.67 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.4 tp 40.97 64.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 1.0 109.349 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.479 ' CB ' ' C ' ' A' ' 156' ' ' GLU . 0.4 OUTLIER -43.2 -80.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 1.0 110.037 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' SER . . . -37.19 95.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 1.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' SER . 0.1 OUTLIER -128.8 103.44 7.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 1.0 109.593 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.897 HG13 HG13 ' A' ' 154' ' ' VAL . 4.3 mp -90.98 120.89 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 1.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG12 HD12 ' A' ' 152' ' ' LEU . 97.6 t -74.66 121.83 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -100.8 115.64 30.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 1.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.856 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -40.6 100.7 0.22 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 1.0 110.03 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 1.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.9 ttt -150.8 123.98 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 1.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.963 HG13 ' HA ' ' A' ' 147' ' ' GLU . 3.4 t -70.75 140.05 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.62 -118.59 0.87 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 69.4 m -124.84 167.84 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 1.0 110.389 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.696 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.9 t80 -140.9 135.7 31.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 1.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.516 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.4 m-85 -127.52 155.28 44.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -103.04 -13.45 16.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 1.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.95 HG22 ' HA ' ' A' ' 101' ' ' ALA . 73.0 p -130.22 155.54 80.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 1.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.442 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -75.02 -23.21 13.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 1.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.479 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -149.14 176.87 2.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.995 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 1.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.55 35.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.23 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.35 146.79 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 1.0 109.354 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -63.91 167.44 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 1.0 109.28 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.95 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -77.4 132.89 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.961 ' CE1' HG21 ' A' ' 114' ' ' THR . 7.4 m-85 -47.87 -42.91 27.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.181 . . . . 1.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' A' ' 102' ' ' PHE . 3.1 mp -138.21 120.51 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 9.9 tp10 -86.57 117.22 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 1.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.706 HG22 HD11 ' A' ' 138' ' ' ILE . 77.0 t -39.74 116.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.79 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 116.4 5.35 16.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -112.62 171.11 7.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 1.0 110.287 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.43 165.36 12.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 1.0 109.256 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.1 137.87 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.447 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 2.3 t-20 -119.6 150.88 39.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.27 109.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.4 -19.82 6.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 1.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.05 136.01 33.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 0.798 . . . . 1.0 109.369 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.961 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.8 m -60.95 155.27 20.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 1.0 110.419 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.553 HD13 ' HB2' ' A' ' 129' ' ' ALA . 2.9 tp -120.02 -41.12 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.499 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 176.97 -173.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.462 HG12 ' CG ' ' A' ' 126' ' ' GLN . 27.2 mt -128.2 158.28 40.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 1.0 109.234 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.506 ' CG2' HD11 ' A' ' 127' ' ' ILE . 25.5 t -139.62 132.27 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.0 tt0 -93.89 130.7 39.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 1.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.96 150.09 27.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 1.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 53.51 19.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.39 41.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -151.86 146.49 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 1.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 mtm -81.92 131.94 35.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.972 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -132.01 110.03 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.462 ' CG ' HG12 ' A' ' 117' ' ' ILE . 12.4 mt-30 -73.54 154.27 39.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 1.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.506 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.8 mt -121.22 116.56 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -93.11 129.12 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 1.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.553 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -48.37 133.08 16.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 1.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -121.39 17.78 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 1.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -168.61 88.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.447 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 83.0 p -39.18 137.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -166.24 -172.14 33.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.092 . . . . 1.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.462 HG22 ' HG2' ' A' ' 156' ' ' GLU . 0.9 OUTLIER -126.63 141.42 51.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 1.0 110.396 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.79 HG11 ' H ' ' A' ' 106' ' ' GLY . 13.3 p -40.14 159.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 1.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.59 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 2.4 tptp -149.65 -45.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.452 1.095 . . . . 1.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.46 132.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.831 HG23 HG22 ' A' ' 153' ' ' VAL . 0.2 OUTLIER -102.2 125.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.917 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -92.29 -44.16 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 1.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.643 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.6 p -79.92 156.93 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -112.23 173.52 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 1.0 110.254 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.8 t -80.42 97.51 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 1.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.98 -5.6 23.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 1.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.99 150.28 80.91 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 1.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.5 Cg_endo -74.99 161.33 38.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 1.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.696 HG11 ' HB2' ' A' ' 91' ' ' PHE . 15.8 m -143.03 157.58 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.963 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -136.97 159.11 42.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 110.288 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.583 ' N ' HG22 ' A' ' 88' ' ' VAL . 16.8 t80 -60.85 136.92 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 111.057 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 82.69 -6.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.389 1.056 . . . . 1.0 109.351 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 3.3 tm-20 -88.32 138.8 30.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.615 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.93 155.2 43.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.434 1.755 . . . . 1.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.856 HD11 ' HA ' ' A' ' 85' ' ' SER . 59.8 mt -117.94 -81.38 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.831 HG22 HG23 ' A' ' 138' ' ' ILE . 21.1 t -119.74 138.25 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 1.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.917 HG23 HD21 ' A' ' 139' ' ' LEU . 36.1 t -96.59 129.24 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 1.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 135' ' ' VAL . 9.2 mm -118.7 163.85 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 72' ' ' ALA . 14.2 mmm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.494 0.188 . . . . 1.0 111.067 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 68.6 -65.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 1.0 110.322 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' MET . . . -114.71 92.03 27.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.403 1.064 . . . . 1.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.8 4.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 1.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 44.35 78.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.427 1.08 . . . . 1.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -174.66 72.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.35 -61.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.33 169.55 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.524 HD13 ' HA ' ' A' ' 78' ' ' ILE . 6.5 mm 63.5 127.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.9 p -179.4 71.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 1.0 110.005 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.421 ' N ' ' HA ' ' A' ' 156' ' ' GLU . . . 136.33 101.72 0.63 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 1.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -147.39 130.4 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 1.0 109.641 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.53 HG13 HG13 ' A' ' 154' ' ' VAL . 1.8 mp -96.09 124.61 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 1.0 109.278 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 152' ' ' LEU . 40.0 t -83.07 135.06 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.617 1.198 . . . . 1.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.85 126.52 47.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 1.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.918 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -39.1 99.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 110.021 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 1.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.16 112.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.817 HG22 ' HA ' ' A' ' 147' ' ' GLU . 46.5 t -50.05 137.92 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 1.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.21 -134.02 3.22 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.524 1.14 . . . . 1.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 11.5 m -125.34 122.07 35.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 0.747 . . . . 1.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.4 t80 -88.98 130.66 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 1.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 52.3 m-85 -126.7 144.08 51.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.593 ' HD3' HG21 ' A' ' 138' ' ' ILE . 28.0 mmm-85 -91.81 -17.76 24.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 1.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.949 HG22 ' HA ' ' A' ' 101' ' ' ALA . 73.4 p -132.64 155.44 81.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.54 13.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 1.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.32 170.74 7.2 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.86 13.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.428 1.751 . . . . 1.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -113.88 32.5 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 1.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.7 143.8 49.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 1.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -51.22 -179.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.949 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -100.43 133.12 45.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.922 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.0 m-85 -55.16 -39.84 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 1.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.538 HD13 ' CG1' ' A' ' 109' ' ' VAL . 1.9 tp -137.91 106.93 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 2.4 tt0 -90.99 123.16 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 1.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.674 HG22 HD11 ' A' ' 138' ' ' ILE . 60.7 t -40.11 116.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.709 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.57 23.85 6.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 1.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.85 165.08 22.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 1.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -108.38 175.22 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 1.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.538 ' CG1' HD13 ' A' ' 103' ' ' ILE . 15.5 m -150.45 140.04 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -118.06 142.75 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 1.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.56 109.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 1.0 109.26 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.47 4.8 10.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 1.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.42 135.6 47.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 1.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.922 HG21 ' CE1' ' A' ' 102' ' ' PHE . 85.8 m -57.81 141.33 49.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.076 HD21 HG22 ' A' ' 127' ' ' ILE . 3.9 pp -113.46 -32.54 6.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.67 -168.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 1.0 108.322 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.779 HG23 ' O ' ' A' ' 125' ' ' ASN . 4.9 mt -135.96 145.62 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 1.0 109.323 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.4 120.72 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -98.44 126.12 43.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 1.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.62 175.96 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 1.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.5 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 23.0 ptm 42.45 46.41 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 41.95 51.5 4.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 24.9 tpp -171.16 144.97 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.6 131.6 37.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 1.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.779 ' O ' HG23 ' A' ' 117' ' ' ILE . 30.1 m-80 -125.16 151.3 45.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 1.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -107.52 153.41 22.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 1.076 HG22 HD21 ' A' ' 115' ' ' LEU . 4.8 mm -114.89 116.53 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -95.65 122.25 38.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 1.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.45 133.16 1.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 1.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.463 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 47.4 t0 -117.14 14.53 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 1.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 130' ' ' ASP . 3.1 mptt -163.33 83.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 27.2 p -39.34 144.77 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 1.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 169.31 -173.1 43.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 1.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.497 HG22 ' N ' ' A' ' 135' ' ' VAL . 4.0 m -108.84 170.41 8.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 1.0 110.411 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.709 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.0 p -61.09 152.41 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.482 1.113 . . . . 1.0 109.369 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.642 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -133.99 -47.52 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 1.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.56 133.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.872 HG23 HG22 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -102.58 130.71 52.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 1.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -101.27 -45.28 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 1.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.4 p -75.29 140.04 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -100.99 134.12 44.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 110.297 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.9 p -44.43 95.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 1.0 109.963 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 131.6 -34.34 2.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 1.0 110.99 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.95 145.86 78.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 1.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.31 27.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 1.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.57 HG11 ' HB2' ' A' ' 91' ' ' PHE . 16.5 m -148.77 163.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.817 ' HA ' HG22 ' A' ' 88' ' ' VAL . 1.2 pt-20 -146.5 168.75 20.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 2.8 t80 -62.81 135.6 57.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.32 -7.69 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 1.0 109.343 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 151' ' ' PRO . 0.0 OUTLIER -86.41 143.39 36.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 1.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.636 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.95 158.46 42.36 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.57 1.826 . . . . 1.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.918 HD11 ' HA ' ' A' ' 85' ' ' SER . 92.8 mt -126.01 -80.27 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 1.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.872 HG22 HG23 ' A' ' 138' ' ' ILE . 6.8 t -133.83 139.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.204 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.633 HG23 HD21 ' A' ' 139' ' ' LEU . 17.4 t -91.56 123.99 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -114.92 161.35 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 1.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 14.4 tt0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 1.0 110.283 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.541 0.21 . . . . 1.0 110.977 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -62.1 160.23 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 1.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 71' ' ' GLU . . . 40.53 74.85 0.66 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 1.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 178.8 6.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.791 . . . . 1.0 111.003 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.43 -61.16 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 1.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.2 62.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 1.0 109.378 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 61.93 144.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 1.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 179.26 116.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.78 ' H ' HD13 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -135.71 43.71 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 42.1 86.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 1.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -40.41 161.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 1.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.764 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.1 121.31 21.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 0.781 . . . . 1.0 109.538 -179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.599 HG13 HG13 ' A' ' 154' ' ' VAL . 3.8 mp -85.05 117.0 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.764 HG22 ' CE1' ' A' ' 81' ' ' HIS . 8.0 t -66.77 117.17 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 1.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.07 118.84 33.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 1.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.73 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -44.68 103.28 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 110.021 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 0.51 8.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.785 . . . . 1.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.18 139.34 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 1.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.8 t -74.83 142.17 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 1.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.26 -121.48 1.07 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.103 . . . . 1.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 91' ' ' PHE . 52.8 m -130.92 170.85 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 1.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.756 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.3 t80 -138.21 144.31 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.3 m-85 -138.73 158.85 43.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 1.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.781 ' HD2' HG21 ' A' ' 138' ' ' ILE . 5.0 mtp180 -114.32 -16.98 11.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 1.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.996 HG22 ' HA ' ' A' ' 101' ' ' ALA . 82.5 p -133.57 155.23 80.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 110.418 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.72 19.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.469 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -152.54 176.1 2.58 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 1.0 110.023 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 1.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.38 26.26 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 1.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.6 158.68 16.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.324 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -64.47 167.2 7.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.996 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -95.52 135.21 37.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 1.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.917 ' CE1' HG21 ' A' ' 114' ' ' THR . 9.1 m-85 -53.85 -41.27 67.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 1.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.686 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -132.88 118.59 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.89 116.3 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -40.3 116.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 1.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.471 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 107.99 23.66 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 1.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.25 166.05 20.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 0.778 . . . . 1.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 7.3 ttpt -109.16 167.13 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.636 HG21 HD11 ' A' ' 115' ' ' LEU . 15.4 m -145.17 147.8 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.607 1.192 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.3 m-80 -123.04 141.79 51.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 1.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.36 108.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.87 -7.29 6.89 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.451 1.095 . . . . 1.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.87 138.52 40.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.797 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.917 HG21 ' CE1' ' A' ' 102' ' ' PHE . 86.6 m -59.1 141.73 53.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.636 HD11 HG21 ' A' ' 109' ' ' VAL . 4.3 tp -113.48 -32.22 6.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 1.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.7 p -179.71 -162.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 108.312 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.514 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mt -143.85 158.7 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.516 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.2 t -144.4 129.27 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -87.25 138.03 31.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 1.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -161.11 148.15 15.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 89.6 mtp 54.43 19.9 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 1.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 38.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.9 tpp -152.88 136.98 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 1.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -70.07 134.41 48.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 1.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -131.51 104.89 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.726 ' CG ' HG23 ' A' ' 114' ' ' THR . 15.6 tt0 -67.55 148.02 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.516 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.9 mt -116.74 116.44 52.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -90.82 137.84 32.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 1.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.12 133.16 19.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.13 14.24 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.229 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -179.23 99.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.7 p -39.29 146.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 110.012 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.62 -173.06 45.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 1.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 135' ' ' VAL . 31.5 m -115.85 171.65 7.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 1.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.511 ' N ' HG22 ' A' ' 134' ' ' THR . 9.4 p -60.43 164.85 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.367 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.735 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -147.83 -50.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.563 1.164 . . . . 1.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.17 140.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 1.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.988 HD13 HG13 ' A' ' 153' ' ' VAL . 4.4 mm -106.07 115.75 48.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 1.038 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -86.92 -44.91 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 1.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.635 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.7 p -88.75 138.64 18.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -89.05 176.49 6.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 1.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.5 t -83.56 87.73 7.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 1.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 130.78 -5.39 5.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.406 1.066 . . . . 1.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -80.01 149.82 70.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 1.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.5 Cg_endo -74.94 161.33 39.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 1.0 111.048 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.756 HG11 ' HB2' ' A' ' 91' ' ' PHE . 11.7 m -139.23 156.96 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.59 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -133.52 152.61 51.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 110.265 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.851 ' H ' HG22 ' A' ' 88' ' ' VAL . 16.0 t80 -61.99 135.86 57.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 1.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.1 t70 82.94 -5.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 28.0 mm-40 -90.73 150.23 41.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.692 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.01 151.79 39.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.56 1.821 . . . . 1.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 85' ' ' SER . 70.4 mt -119.04 -81.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.988 HG13 HD13 ' A' ' 138' ' ' ILE . 59.5 t -123.84 153.61 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 1.038 HG23 HD21 ' A' ' 139' ' ' LEU . 36.4 t -107.4 121.91 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -111.92 164.23 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 1.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.506 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.6 tt0 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.482 0.182 . . . . 1.0 111.023 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 65.7 81.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.83 92.01 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 1.0 109.37 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -39.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 1.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 58.77 69.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.5 156.7 34.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 1.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.25 -61.8 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.93 74.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.303 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.61 HG23 ' H ' ' A' ' 79' ' ' SER . 6.4 tt -41.1 -61.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.61 ' H ' HG23 ' A' ' 78' ' ' ILE . 89.5 p 39.76 89.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 1.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -47.8 176.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 1.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.407 ' NE2' HG22 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -137.28 123.59 20.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 1.0 109.603 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.967 HD13 HG13 ' A' ' 154' ' ' VAL . 9.5 mm -88.87 122.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.407 HG22 ' NE2' ' A' ' 81' ' ' HIS . 48.9 t -88.2 116.35 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 1.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -102.73 115.87 31.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 1.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.428 ' CB ' HD21 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -40.38 107.16 0.45 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 110.024 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.53 8.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 1.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 ptp -159.44 145.1 15.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 1.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.893 HG13 ' HA ' ' A' ' 147' ' ' GLU . 2.7 t -81.47 140.46 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.15 -125.2 1.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.435 1.084 . . . . 1.0 111.003 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.572 ' O ' HG13 ' A' ' 118' ' ' VAL . 51.7 m -124.66 167.06 15.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 1.0 110.341 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.743 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.7 t80 -140.58 128.03 21.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 1.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 79.3 m-85 -120.03 168.55 11.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.791 ' NH1' HD12 ' A' ' 138' ' ' ILE . 7.9 mtm180 -114.0 -13.73 12.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 1.0 110.233 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.967 HG22 ' HA ' ' A' ' 101' ' ' ALA . 74.5 p -133.47 155.46 80.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 110.399 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.21 15.03 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.428 1.752 . . . . 1.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.485 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -150.0 177.58 1.79 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 1.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -98.12 36.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 1.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.45 156.77 26.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -65.51 166.84 9.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.967 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.38 133.23 34.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 1.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.847 ' CE1' HG21 ' A' ' 114' ' ' THR . 19.3 m-85 -56.34 -39.1 72.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 1.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.15 111.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.49 129.55 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 1.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.417 ' HA ' HG21 ' A' ' 135' ' ' VAL . 51.8 t -40.36 116.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.636 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 110.81 24.83 5.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.132 . . . . 1.0 111.083 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -129.79 167.47 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 0.751 . . . . 1.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 172.94 6.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 1.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.682 HG21 HD11 ' A' ' 115' ' ' LEU . 15.8 m -149.17 143.2 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 1.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -121.61 145.62 47.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.27 108.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 1.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.19 25.17 4.22 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 1.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.58 135.0 48.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 1.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.847 HG21 ' CE1' ' A' ' 102' ' ' PHE . 60.1 m -58.47 142.31 49.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 1.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 109' ' ' VAL . 2.8 tp -112.32 -32.29 6.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.445 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.5 p 175.95 -173.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.555 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.6 mt -126.13 161.2 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 1.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 90' ' ' THR . 9.9 t -147.82 130.66 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.417 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.7 tt0 -87.22 126.62 34.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -155.75 149.25 24.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.6 mmm 47.12 42.31 12.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 121' ' ' MET . 17.3 ptmt 48.99 45.87 22.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.231 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.65 139.6 10.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 1.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.6 mmm -67.18 137.17 56.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 1.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -132.52 105.66 7.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.814 ' CG ' HG23 ' A' ' 114' ' ' THR . 15.3 tt0 -75.59 147.42 39.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 1.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.499 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.4 mt -111.04 116.22 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -92.6 125.24 37.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.61 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.45 133.01 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.02 14.62 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 1.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 8.7 tttt -173.72 92.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 1.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' LYS . 70.4 p -39.23 142.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 1.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 173.76 -173.21 45.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.578 1.173 . . . . 1.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -116.15 167.31 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 1.0 110.44 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.636 HG11 ' H ' ' A' ' 106' ' ' GLY . 11.8 p -52.83 162.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 1.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -149.34 -48.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 1.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.67 133.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.948 HG23 HG22 ' A' ' 153' ' ' VAL . 1.8 mt -105.04 115.65 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 1.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.936 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -81.69 -45.24 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 1.0 109.362 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.654 HG13 ' CD1' ' A' ' 91' ' ' PHE . 7.9 p -90.83 139.14 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.458 ' HG2' ' CG ' ' A' ' 144' ' ' GLN . 9.6 pt-20 -94.22 173.91 7.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.86 97.95 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 1.0 109.989 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.1 -36.73 2.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 1.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.458 ' CG ' ' HG2' ' A' ' 141' ' ' GLU . 2.9 mt-30 -48.92 151.2 2.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.583 0.814 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -75.03 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 1.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.743 HG11 ' HB2' ' A' ' 91' ' ' PHE . 22.5 m -150.45 157.26 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.06 . . . . 1.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.893 ' HA ' HG13 ' A' ' 88' ' ' VAL . 44.2 tt0 -139.47 149.38 43.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 1.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.876 ' H ' HG22 ' A' ' 88' ' ' VAL . 13.1 t80 -60.23 138.49 57.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 1.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.5 t70 83.84 -6.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.409 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.2 mt-10 -95.06 147.35 32.89 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 1.0 110.222 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.56 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.91 154.71 43.14 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.485 1.781 . . . . 1.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.616 HD13 ' HD2' ' A' ' 91' ' ' PHE . 19.7 mt -117.48 -71.78 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 109.219 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.948 HG22 HG23 ' A' ' 138' ' ' ILE . 43.6 t -134.82 144.56 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.967 HG13 HD13 ' A' ' 82' ' ' ILE . 22.0 t -100.94 122.09 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.9 mp -108.63 163.08 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.491 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.4 pt-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 1.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.5 mtp . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.495 0.188 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.14 79.29 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 1.0 110.267 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -46.24 -53.48 22.68 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 1.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.03 139.72 24.53 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.473 1.775 . . . . 1.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 63.93 61.53 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 1.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -179.43 -173.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 1.0 109.237 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.03 -166.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.576 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.7 OUTLIER 65.65 179.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 110.357 -179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.576 HD12 ' C ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER 50.97 -141.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.325 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.483 ' H ' HG22 ' A' ' 78' ' ' ILE . 0.9 OUTLIER 162.3 43.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.979 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . 50.19 178.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 1.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 80' ' ' GLY . 3.9 m-70 -140.91 108.41 5.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 1.0 109.531 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.773 ' CG1' HG13 ' A' ' 154' ' ' VAL . 96.7 mt -84.26 135.46 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.222 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.3 t -106.39 118.04 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 1.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' SER . 9.8 mtt180 -95.67 126.39 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 110.384 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.574 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -38.69 104.84 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.026 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 0.46 8.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.441 1.758 . . . . 1.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.28 126.63 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 1.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.901 HG22 ' H ' ' A' ' 148' ' ' PHE . 17.6 t -64.43 138.37 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.01 -124.04 1.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.573 1.17 . . . . 1.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 91' ' ' PHE . 41.4 m -128.68 167.47 17.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 0.776 . . . . 1.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.573 ' CD2' HG11 ' A' ' 140' ' ' VAL . 3.0 t80 -137.3 134.76 36.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.1 m-85 -126.2 155.74 41.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.417 ' CG ' ' HB2' ' A' ' 142' ' ' SER . 10.0 mmm180 -104.48 -13.72 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 1.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.925 HG22 ' HA ' ' A' ' 101' ' ' ALA . 38.8 p -134.71 155.96 79.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 1.0 110.446 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.4 11.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 1.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.461 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -144.88 175.64 2.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 109.97 179.923 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 -38.29 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -107.89 44.62 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 1.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.08 160.16 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 1.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 164.86 24.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.925 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -78.15 132.94 37.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.587 ' CE1' HG21 ' A' ' 114' ' ' THR . 12.1 m-85 -49.97 -40.85 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 1.0 111.059 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -134.93 127.69 48.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 1.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -97.86 112.46 24.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' GLU . 65.1 t -40.5 116.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 1.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.541 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 103.47 32.04 4.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 1.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -122.23 171.13 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 1.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -107.73 118.66 37.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 109.245 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 132' ' ' SER . 27.9 m -116.97 138.06 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 1.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 13.7 m120 -131.11 153.13 49.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.2 t -40.32 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.51 -23.45 4.26 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.503 1.127 . . . . 1.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.27 138.43 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 0.792 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.617 HG23 ' CG ' ' A' ' 126' ' ' GLN . 32.2 m -64.53 150.58 46.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.4 tp -115.09 -36.79 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.558 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.75 -169.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 108.314 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.747 HD13 ' HA ' ' A' ' 126' ' ' GLN . 16.1 mm -131.42 159.04 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.508 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.0 t -144.55 130.65 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -88.59 135.19 33.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 1.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -177.32 169.65 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.2 ptp 42.52 45.76 3.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.128 . . . . 1.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.1 mttt 41.47 51.78 3.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.83 161.56 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.8 mtm -79.16 142.07 36.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -133.81 99.75 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.747 ' HA ' HD13 ' A' ' 117' ' ' ILE . 0.2 OUTLIER -72.8 144.54 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.268 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.508 HD11 ' CG2' ' A' ' 118' ' ' VAL . 3.2 mt -108.34 115.86 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 1.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -90.72 134.94 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 1.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.45 133.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 1.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 131' ' ' LYS . 41.2 m-20 -110.33 14.87 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 130' ' ' ASP . 9.2 mttt 169.67 104.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 52.5 p -39.08 149.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 1.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.55 -173.17 40.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 1.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.746 ' O ' HG12 ' A' ' 135' ' ' VAL . 18.4 m -131.91 57.49 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 1.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.746 HG12 ' O ' ' A' ' 134' ' ' THR . 6.4 p 50.56 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.692 ' H ' HG22 ' A' ' 135' ' ' VAL . 6.9 tttt -165.94 -50.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.857 ' C ' HD13 ' A' ' 138' ' ' ILE . . . 173.58 137.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 1.048 HG23 HG22 ' A' ' 153' ' ' VAL . 1.0 OUTLIER -103.88 146.47 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 1.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.798 HD23 ' C ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -116.63 -49.14 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.573 HG11 ' CD2' ' A' ' 91' ' ' PHE . 12.1 p -66.03 169.66 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.519 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.1 OUTLIER -116.95 163.57 16.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 1.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.417 ' HB2' ' CG ' ' A' ' 93' ' ' ARG . 5.8 t -83.0 85.16 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 1.0 109.951 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.07 -5.54 7.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 1.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.46 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -82.76 151.23 64.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 1.0 110.311 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -75.03 167.42 27.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 1.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 145' ' ' PRO . 2.6 m -151.68 158.43 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.157 . . . . 1.0 109.224 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.548 ' HA ' HG13 ' A' ' 88' ' ' VAL . 6.5 pt-20 -143.14 132.97 23.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.901 ' H ' HG22 ' A' ' 88' ' ' VAL . 5.2 t80 -34.25 145.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 1.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 86.16 -12.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.269 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.44 ' HG3' ' CG ' ' A' ' 147' ' ' GLU . 7.9 mm-40 -95.13 142.86 25.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 1.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.775 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.1 Cg_endo -75.02 159.88 40.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 1.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' ' 85' ' ' SER . 76.5 mt -125.22 -81.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 1.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 1.048 HG22 HG23 ' A' ' 138' ' ' ILE . 94.4 t -123.51 137.7 55.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.773 HG13 ' CG1' ' A' ' 82' ' ' ILE . 3.0 t -101.95 135.43 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 156' ' ' GLU . 5.2 mp -113.6 166.07 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.561 1.163 . . . . 1.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.504 ' N ' HG22 ' A' ' 155' ' ' ILE . 9.0 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 1.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.483 0.182 . . . . 1.0 111.006 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.0 OUTLIER 179.14 81.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 1.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.82 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 168.37 -54.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 1.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.96 -62.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 1.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.88 83.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -174.55 101.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 1.0 109.262 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.64 -60.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.63 143.13 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 1.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.9 pt 44.67 -166.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 1.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 97.1 p -179.57 130.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 1.0 110.053 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.453 ' CA ' ' HG3' ' A' ' 156' ' ' GLU . . . 82.53 125.36 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 1.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.459 ' CD2' ' HB2' ' A' ' 131' ' ' LYS . 3.5 t60 -141.32 133.54 27.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.792 . . . . 1.0 109.634 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.641 HG13 HG22 ' A' ' 154' ' ' VAL . 1.8 mp -100.58 120.21 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.592 HG21 HD23 ' A' ' 115' ' ' LEU . 88.3 t -68.97 129.03 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 1.0 109.383 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -115.57 116.63 28.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 1.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.488 ' HB3' HD21 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -42.64 102.05 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 110.015 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.48 8.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 1.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.39 132.82 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 147' ' ' GLU . 41.5 t -63.16 143.92 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.48 -138.59 5.39 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.534 1.146 . . . . 1.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 7.1 m -124.76 121.99 36.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 1.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.754 ' HD2' HD13 ' A' ' 152' ' ' LEU . 7.1 t80 -87.72 133.91 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 54.9 m-85 -131.48 143.19 50.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.787 ' HD2' HG21 ' A' ' 138' ' ' ILE . 0.4 OUTLIER -99.31 -19.53 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 110.259 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.948 HG22 ' HA ' ' A' ' 101' ' ' ALA . 74.8 p -132.94 153.42 80.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 110.428 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 -17.19 19.67 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 1.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.25 170.64 7.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 1.0 110.045 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -31.04 6.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 1.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.29 42.36 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.59 144.86 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.07 171.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 1.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.948 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -99.31 135.72 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.946 ' CE1' HG21 ' A' ' 114' ' ' THR . 4.2 m-85 -48.91 -43.86 39.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.7 pt -132.13 120.29 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' VAL . 13.9 mt-10 -88.68 112.17 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 1.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.647 ' CG2' HD11 ' A' ' 138' ' ' ILE . 91.9 t -39.92 115.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 1.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.569 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.55 27.22 5.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.0 111.018 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 134' ' ' THR . 6.3 tt0 -121.82 171.12 9.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 1.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -104.38 132.69 50.35 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.439 1.087 . . . . 1.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 132' ' ' SER . 17.0 m -130.71 132.49 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 9.5 t30 -115.01 147.44 40.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 1.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.64 HG23 ' HA ' ' A' ' 130' ' ' ASP . 2.6 p -40.17 109.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 134.28 -31.48 2.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 1.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.86 135.45 38.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 1.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.946 HG21 ' CE1' ' A' ' 102' ' ' PHE . 64.9 m -55.04 144.35 23.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.041 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.2 tp -114.35 -35.07 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.609 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 31.5 p -177.96 -163.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 108.284 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.487 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.0 mt -140.64 156.41 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.598 HG21 HD11 ' A' ' 127' ' ' ILE . 94.2 t -136.97 119.55 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -95.72 125.99 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 123' ' ' MET . . . -155.04 161.61 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mtm 53.42 19.12 1.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 1.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.07 41.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 1.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.444 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 4.8 ptt? -162.03 139.03 8.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 1.0 110.974 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.2 ptp -77.49 144.24 37.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -139.15 105.52 5.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -64.75 147.8 52.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.598 HD11 HG21 ' A' ' 118' ' ' VAL . 5.3 mt -114.94 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.19 132.68 34.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 1.0 110.338 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 1.041 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -52.18 133.04 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.64 ' HA ' HG23 ' A' ' 111' ' ' VAL . 8.6 m-20 -125.17 23.48 7.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 1.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 81' ' ' HIS . 6.3 mttp -169.61 81.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 68.9 p -39.2 147.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 1.0 109.926 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -178.56 -172.31 42.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 1.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.691 ' O ' HG12 ' A' ' 135' ' ' VAL . 1.8 p -128.18 60.21 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 0.807 . . . . 1.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.752 HG22 ' H ' ' A' ' 136' ' ' LYS . 4.4 p 49.03 -177.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 1.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.767 ' HB3' HG12 ' A' ' 154' ' ' VAL . 1.5 tptp -171.1 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.18 135.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 1.0 109.249 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.787 HG21 ' HD2' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -103.23 118.96 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.77 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -87.14 -46.18 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 1.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 91' ' ' PHE . 13.3 p -82.0 138.46 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 144' ' ' GLN . 6.7 pt-20 -100.35 137.56 38.6 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.466 1.104 . . . . 1.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.0 p -42.8 100.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.32 -36.19 2.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 1.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 22.3 tt0 -57.01 140.74 77.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 1.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.5 Cg_endo -74.99 163.58 35.08 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.527 1.804 . . . . 1.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.661 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.2 m -142.21 157.96 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.737 ' HA ' HG22 ' A' ' 88' ' ' VAL . 7.8 mp0 -126.95 168.89 13.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 1.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.545 ' H ' HG22 ' A' ' 88' ' ' VAL . 28.4 t80 -65.68 130.54 43.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.3 t70 82.24 -4.26 1.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 1.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.474 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 1.4 tt0 -80.27 146.3 62.01 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 1.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.581 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.89 151.45 40.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.397 1.735 . . . . 1.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.754 HD13 ' HD2' ' A' ' 91' ' ' PHE . 13.3 mt -119.05 -81.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 1.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.783 HG13 ' HA ' ' A' ' 138' ' ' ILE . 6.0 t -133.36 150.13 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' ' 136' ' ' LYS . 95.4 t -104.36 127.72 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.667 ' CD1' HD21 ' A' ' 115' ' ' LEU . 8.2 mt -119.82 149.37 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 1.0 109.282 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.466 ' HB3' ' CE ' ' A' ' 136' ' ' LYS . 17.5 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 1.0 110.256 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.522 0.201 . . . . 1.0 110.96 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.7 pm0 42.15 -163.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 1.0 110.296 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.86 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 168.27 -54.75 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.86 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -74.94 -56.15 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.573 1.828 . . . . 1.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.96 -61.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 1.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.63 63.04 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 1.0 109.32 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 40.47 62.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 109.339 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 50.85 98.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 1.092 . . . . 1.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.863 HD13 ' N ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -118.28 134.3 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 1.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.863 ' N ' HD13 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -135.77 138.36 42.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 1.0 110.02 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.25 122.47 0.57 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 1.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.537 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -117.88 94.97 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 1.0 109.639 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.105 ' CD1' HG13 ' A' ' 154' ' ' VAL . 11.8 mm -83.5 122.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.537 HG22 ' CE1' ' A' ' 81' ' ' HIS . 85.7 t -89.21 116.49 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 1.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -104.41 124.62 49.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 1.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.704 ' HA ' HD11 ' A' ' 152' ' ' LEU . 6.4 t -40.87 100.85 0.23 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 1.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.39 8.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.761 . . . . 1.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.98 111.32 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 1.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.649 HG22 ' H ' ' A' ' 148' ' ' PHE . 19.2 t -48.63 142.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.8 -135.77 4.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.424 1.077 . . . . 1.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 m -126.27 121.2 31.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 1.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.611 ' HB3' HG21 ' A' ' 140' ' ' VAL . 4.4 t80 -87.35 130.11 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 1.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 45.3 m-85 -124.6 146.96 48.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 1.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -96.6 -17.41 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.971 HG22 ' HA ' ' A' ' 101' ' ' ALA . 70.2 p -131.6 155.44 81.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -23.71 13.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.382 1.727 . . . . 1.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.31 170.81 7.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 109.945 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.01 10.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 1.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.33 45.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.69 147.43 52.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.087 . . . . 1.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -52.97 174.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 1.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.971 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.65 133.09 37.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.938 ' CE1' HG21 ' A' ' 114' ' ' THR . 8.3 m-85 -50.62 -41.85 55.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 1.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.674 HD11 HD12 ' A' ' 115' ' ' LEU . 13.5 mt -130.16 132.82 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 119.51 39.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.6 t -40.42 116.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 1.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.595 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 108.04 30.54 3.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.599 1.187 . . . . 1.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -136.63 158.5 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 1.0 110.289 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -100.95 166.41 10.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 1.0 109.318 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 103' ' ' ILE . 17.4 m -143.55 145.16 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 1.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -130.01 146.49 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 1.0 109.226 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.56 109.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.81 -10.89 6.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.449 1.093 . . . . 1.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.84 138.21 35.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 1.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.938 HG21 ' CE1' ' A' ' 102' ' ' PHE . 74.3 m -65.55 141.41 58.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 1.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.683 HD13 ' HB2' ' A' ' 129' ' ' ALA . 0.7 OUTLIER -112.66 -33.04 6.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 23.2 p 178.97 -170.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 108.299 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.483 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -133.71 156.79 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.662 HG21 HD11 ' A' ' 127' ' ' ILE . 74.1 t -136.29 117.29 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -93.64 126.65 38.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 1.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -150.68 144.07 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.0 109.37 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.3 mtt 48.71 46.78 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.061 . . . . 1.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 121' ' ' MET . 10.7 ptmt 49.77 40.79 21.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 35.8 tpp -146.1 128.15 15.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.465 ' HG2' ' CG2' ' A' ' 117' ' ' ILE . 34.4 ttm -74.9 138.4 42.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -137.29 96.34 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.65 158.34 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.662 HD11 HG21 ' A' ' 118' ' ' VAL . 5.5 mt -123.65 116.05 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -96.41 127.47 42.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.364 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.683 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.42 133.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.169 . . . . 1.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.12 15.75 16.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 1.0 109.234 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -175.0 95.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 1.0 109.32 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.3 p -39.39 150.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.522 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 169.84 -179.41 42.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 1.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.4 p -106.42 -174.31 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 1.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.595 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.3 p -83.23 139.8 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 109.225 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.683 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -120.46 -44.87 2.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.693 ' C ' HD13 ' A' ' 138' ' ' ILE . . . 164.04 139.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.943 HD12 HG13 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -103.84 132.07 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 1.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.912 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -103.15 -40.65 6.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 1.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 91' ' ' PHE . 12.0 p -78.33 157.66 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.25 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.81 151.11 29.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.546 1.154 . . . . 1.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 87.7 p -64.43 83.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 133.57 -12.86 4.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.483 1.115 . . . . 1.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 147.27 88.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 1.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.427 ' C ' HG13 ' A' ' 146' ' ' VAL . 18.4 Cg_endo -74.98 163.69 34.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 1.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.4 m -152.47 163.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.606 ' HA ' HG22 ' A' ' 88' ' ' VAL . 11.6 pt-20 -146.72 173.81 12.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 1.0 110.346 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.649 ' H ' HG22 ' A' ' 88' ' ' VAL . 3.6 t80 -61.88 135.16 57.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.118 . . . . 1.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.94 -10.0 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 13.6 tp10 -83.64 136.49 42.2 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.758 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.0 Cg_endo -75.06 152.14 40.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 1.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 85' ' ' SER . 80.5 mt -119.04 -79.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.943 HG13 HD12 ' A' ' 138' ' ' ILE . 2.9 t -122.54 142.59 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 1.105 HG13 ' CD1' ' A' ' 82' ' ' ILE . 24.3 t -100.79 115.48 42.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 1.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -108.5 163.9 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 1.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.505 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.8 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 1.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.409 ' HG2' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.531 0.205 . . . . 1.0 111.05 . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' N ' ' HG2' ' A' ' 70' ' ' MET . 0.1 OUTLIER -114.01 -31.27 6.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 1.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.8 155.82 86.76 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.83 4.05 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.509 1.794 . . . . 1.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 59.6 155.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.73 129.72 34.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 1.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.09 159.36 15.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 1.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 79' ' ' SER . 0.0 OUTLIER 69.57 149.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 1.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.729 ' O ' HD12 ' A' ' 78' ' ' ILE . 0.6 OUTLIER 39.16 30.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -107.18 97.01 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 1.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.11 120.91 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.421 1.075 . . . . 1.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.62 99.12 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 0.813 . . . . 1.0 109.583 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.859 HG13 HG13 ' A' ' 154' ' ' VAL . 2.0 mp -85.41 118.08 31.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.637 1.211 . . . . 1.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.925 HG21 HD13 ' A' ' 115' ' ' LEU . 40.0 t -67.72 122.21 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -116.23 118.72 33.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.445 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -50.56 106.53 0.65 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 1.0 110.064 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 0.58 8.7 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 1.0 111.015 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.01 120.16 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' ' 147' ' ' GLU . 18.1 t -45.93 151.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 160.53 -128.96 2.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 1.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 143' ' ' GLY . 56.7 m -142.96 120.96 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.414 0.714 . . . . 1.0 110.453 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.619 ' HB3' HG21 ' A' ' 140' ' ' VAL . 2.6 t80 -86.01 138.34 32.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 29.3 m-85 -134.6 149.31 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 1.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.53 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 13.9 mmm-85 -95.67 -14.06 23.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 1.0 110.228 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.958 HG22 ' HA ' ' A' ' 101' ' ' ALA . 40.4 p -135.39 155.47 78.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 1.0 110.369 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -22.77 14.61 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.467 1.772 . . . . 1.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -145.31 174.85 3.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.017 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.0 -32.68 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 1.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.63 51.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.52 148.26 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 1.0 109.332 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 1.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.958 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -100.27 137.82 38.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.924 ' CE1' HG21 ' A' ' 114' ' ' THR . 22.1 m-85 -61.66 -38.89 89.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 1.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.621 HD11 HG11 ' A' ' 109' ' ' VAL . 17.6 mt -140.47 133.21 32.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.2 133.78 54.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.12 116.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 1.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.712 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 99.51 48.71 1.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -149.71 155.2 39.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 1.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 109' ' ' VAL . 7.8 tttm -107.16 167.95 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.621 HG11 HD11 ' A' ' 103' ' ' ILE . 18.0 m -147.23 144.7 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.94 142.59 47.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.669 HG23 ' H ' ' A' ' 132' ' ' SER . 3.2 t -40.28 108.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.48 -8.95 8.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 1.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 133.26 37.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 1.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.924 HG21 ' CE1' ' A' ' 102' ' ' PHE . 96.6 m -53.96 141.64 27.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 110.373 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.021 HD21 HG22 ' A' ' 127' ' ' ILE . 2.5 pp -112.89 -32.65 6.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 109.386 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.666 ' O ' HD13 ' A' ' 117' ' ' ILE . 16.9 p -178.76 -164.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 1.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.754 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.3 mm -135.97 161.32 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 1.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.543 HG21 HD11 ' A' ' 127' ' ' ILE . 4.6 t -143.54 119.31 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 1.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.71 140.36 36.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 1.0 110.235 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -164.51 143.86 7.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 1.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.2 mtm 54.73 24.22 5.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.175 . . . . 1.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.4 37.33 1.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 1.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.5 ttm -136.96 145.26 43.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.392 1.057 . . . . 1.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.2 133.62 34.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -134.88 98.77 4.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 1.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.627 ' HG3' HD12 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -71.06 151.34 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 1.021 HG22 HD21 ' A' ' 115' ' ' LEU . 3.0 mt -122.05 115.89 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 1.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -96.6 128.83 43.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 1.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.35 133.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.23 14.99 23.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -174.01 95.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.669 ' H ' HG23 ' A' ' 111' ' ' VAL . 39.9 p -39.23 146.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 1.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 173.36 -172.86 45.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.405 1.066 . . . . 1.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.679 HG22 ' H ' ' A' ' 135' ' ' VAL . 10.7 m -113.78 -177.01 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 0.717 . . . . 1.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.712 HG11 ' H ' ' A' ' 106' ' ' GLY . 12.5 p -72.52 142.22 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 1.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.687 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -124.44 -45.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.14 132.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 1.0 109.337 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.898 HG23 HG22 ' A' ' 153' ' ' VAL . 0.7 OUTLIER -102.29 132.06 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 1.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.27 -42.19 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 91' ' ' PHE . 11.5 p -72.61 137.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 1.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.3 OUTLIER -102.04 131.17 48.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 1.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 60.5 p -44.3 95.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 1.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.621 ' O ' HG23 ' A' ' 90' ' ' THR . . . 133.11 -30.74 3.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 1.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.46 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 8.6 tt0 -57.77 140.87 80.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.3 Cg_endo -75.06 140.53 25.41 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 1.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.752 ' O ' HG13 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -101.84 162.77 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.755 ' HA ' HG22 ' A' ' 88' ' ' VAL . 11.4 mm-40 -143.39 167.84 21.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 1.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 9.0 t80 -61.17 138.02 58.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 1.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 56.67 17.66 3.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 1.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 7.5 tm-20 -90.37 137.02 27.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 1.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.401 ' O ' ' OE1' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -74.97 156.35 43.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 1.0 111.035 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.729 HD12 HG12 ' A' ' 83' ' ' VAL . 60.3 mt -130.35 -81.78 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 1.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.898 HG22 HG23 ' A' ' 138' ' ' ILE . 21.1 t -119.49 154.13 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 1.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.859 HG13 HG13 ' A' ' 82' ' ' ILE . 25.0 t -109.74 118.36 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.8 mp -110.28 163.26 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.6 pt-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 1.0 110.244 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.477 0.18 . . . . 1.0 111.004 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.09 106.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.01 160.07 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 1.0 109.352 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 172.59 16.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.541 1.811 . . . . 1.0 111.047 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.78 62.73 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 64.0 162.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.346 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.05 83.91 5.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 1.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.84 93.3 1.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.454 ' O ' ' CB ' ' A' ' 79' ' ' SER . 3.3 pt 40.58 -147.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 1.0 109.246 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 3.5 t 82.29 44.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 1.0 110.042 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -41.92 163.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.534 1.146 . . . . 1.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.538 ' CE1' HG23 ' A' ' 83' ' ' VAL . 1.9 p80 -149.94 127.3 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 1.0 109.577 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.507 HG13 HG13 ' A' ' 154' ' ' VAL . 3.8 mp -94.61 116.4 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.744 HG12 HD12 ' A' ' 152' ' ' LEU . 6.7 t -75.9 119.31 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 1.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.78 127.15 51.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 1.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.892 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -46.59 106.17 0.55 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 1.0 109.993 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 0.71 8.62 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 1.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -162.87 134.03 4.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 1.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.81 HG22 ' H ' ' A' ' 148' ' ' PHE . 13.2 t -67.18 138.53 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.52 -124.37 1.3 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 1.0 110.998 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 143' ' ' GLY . 88.0 m -127.88 164.29 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 1.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.75 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.3 t80 -137.54 122.96 19.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 1.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 61.4 m-85 -116.08 162.8 16.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 1.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -108.71 -13.8 14.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' THR . . . . . 1.007 HG22 ' HA ' ' A' ' 101' ' ' ALA . 38.3 p -136.69 155.48 76.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 1.0 110.391 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -18.16 18.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 1.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -153.74 176.15 2.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.965 179.941 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 -36.48 2.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 1.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.78 23.65 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 1.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -101.52 158.59 15.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.601 1.188 . . . . 1.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -63.56 168.95 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 1.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.007 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.41 133.34 36.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.096 . . . . 1.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.818 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 28.2 m-85 -59.64 -37.74 79.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 1.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.837 HG21 HD13 ' A' ' 115' ' ' LEU . 1.7 pp -143.59 100.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.84 120.24 24.93 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.476 HG22 HD11 ' A' ' 138' ' ' ILE . 67.5 t -40.17 116.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 1.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.734 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 114.05 5.63 21.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 1.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.58 164.7 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 1.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -113.26 169.85 8.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 1.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.999 HG21 HD21 ' A' ' 115' ' ' LEU . 22.2 m -143.03 144.31 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.548 ' ND2' ' OD1' ' A' ' 113' ' ' ASP . 3.1 p-10 -118.63 148.62 42.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.473 HG23 ' H ' ' A' ' 132' ' ' SER . 3.2 t -40.18 108.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.371 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.97 10.86 11.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 1.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.548 ' OD1' ' ND2' ' A' ' 110' ' ' ASN . 0.5 OUTLIER -112.0 133.94 53.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 1.0 109.244 -179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.737 HG23 ' CG ' ' A' ' 126' ' ' GLN . 23.5 m -60.37 143.62 52.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.999 HD21 HG21 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -112.17 -31.09 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.723 ' O ' HD13 ' A' ' 117' ' ' ILE . 1.2 p 177.72 -172.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 1.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.818 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 24.2 mm -123.46 154.21 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 127' ' ' ILE . 25.2 t -134.67 127.89 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.67 136.72 38.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -134.1 -175.94 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.08 . . . . 1.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -42.08 92.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 1.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER 39.97 51.11 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 1.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.68 116.7 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ttt -84.06 132.27 34.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 117' ' ' ILE . 5.3 m120 -129.3 159.92 34.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.737 ' CG ' HG23 ' A' ' 114' ' ' THR . 14.0 tt0 -128.21 148.88 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.2 mt -105.78 116.29 49.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 1.8 pm0 -101.44 121.89 42.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.857 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -43.46 133.03 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 1.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.5 p30 -112.92 15.49 19.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.0 OUTLIER -175.32 96.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 1.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 82.8 p -39.25 132.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 1.0 109.957 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.74 -171.81 31.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.112 . . . . 1.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.401 ' C ' HD13 ' A' ' 155' ' ' ILE . 21.1 m -126.65 149.36 49.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 0.727 . . . . 1.0 110.45 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.734 HG11 ' H ' ' A' ' 106' ' ' GLY . 14.0 p -41.26 160.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.523 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -151.81 -46.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.555 1.159 . . . . 1.0 109.247 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 174.16 132.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.249 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.739 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.42 112.61 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 1.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.858 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -82.13 -41.28 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.642 HG13 ' CE1' ' A' ' 91' ' ' PHE . 12.7 p -81.43 149.91 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -105.31 158.13 16.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 1.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.66 95.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 124.31 -33.9 3.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.549 1.156 . . . . 1.0 111.106 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.28 151.61 13.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.807 . . . . 1.0 110.299 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.04 167.23 27.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.366 1.719 . . . . 1.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.75 HG11 ' HB2' ' A' ' 91' ' ' PHE . 26.8 m -144.0 157.62 15.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 1.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.469 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.1 mt-10 -133.46 155.2 49.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 110.377 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.81 ' H ' HG22 ' A' ' 88' ' ' VAL . 18.2 t80 -62.93 134.94 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.4 t70 83.51 -5.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 1.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.469 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 49.6 mm-40 -87.77 149.43 45.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 110.244 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.858 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.01 161.36 38.88 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 1.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.892 HD11 ' HA ' ' A' ' 85' ' ' SER . 71.4 mt -132.39 -81.7 0.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 1.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.739 HG22 HG23 ' A' ' 138' ' ' ILE . 6.7 t -123.84 144.29 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 1.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.802 HG23 HD21 ' A' ' 139' ' ' LEU . 89.8 t -105.91 125.91 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.49 ' O ' ' CA ' ' A' ' 80' ' ' GLY . 1.7 mm -109.3 162.27 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.471 ' CB ' ' HG3' ' A' ' 136' ' ' LYS . 2.6 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.482 0.182 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 44.05 73.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 1.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.63 91.97 27.25 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 109.361 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -39.04 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 1.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -134.4 117.58 16.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 1.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.45 165.33 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.01 84.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.257 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -159.53 109.01 1.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 1.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.718 ' H ' HD13 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -127.82 163.79 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 1.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 p -114.84 104.74 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 1.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 156' ' ' GLU . . . 140.06 91.28 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.158 . . . . 1.0 110.968 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.27 102.64 5.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 1.0 109.588 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.821 HG13 HG13 ' A' ' 154' ' ' VAL . 4.2 mp -91.53 130.18 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 1.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.6 t -81.16 119.97 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.075 . . . . 1.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -104.66 112.98 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.694 ' HB3' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -45.48 103.81 0.36 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 1.0 109.986 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.36 8.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 1.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.5 mtt -149.0 134.02 18.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 1.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.787 HG13 ' HA ' ' A' ' 147' ' ' GLU . 10.8 t -74.79 144.6 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.51 -118.95 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 1.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 118' ' ' VAL . 90.9 m -130.82 167.19 19.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 1.0 110.408 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.787 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.0 t80 -138.82 138.14 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 64.3 m-85 -130.62 161.36 31.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 1.0 111.051 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.523 ' HD3' HG21 ' A' ' 138' ' ' ILE . 25.4 mmm-85 -108.78 -13.84 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.966 HG22 ' HA ' ' A' ' 101' ' ' ALA . 49.7 p -133.63 155.46 80.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.83 7.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.564 1.823 . . . . 1.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -142.33 178.0 1.67 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.017 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.97 -45.83 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.429 1.752 . . . . 1.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -99.47 47.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 1.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.05 160.72 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.503 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -71.75 165.07 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 1.0 109.377 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.966 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -84.21 133.21 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 1.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.811 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.0 m-85 -53.93 -40.31 66.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -138.06 103.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 11.1 pt-20 -82.74 118.18 23.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.459 HG22 HD11 ' A' ' 138' ' ' ILE . 94.0 t -40.29 116.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 1.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.676 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 116.43 5.99 15.88 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 1.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.94 171.13 8.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 1.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -115.63 176.8 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 132' ' ' SER . 35.0 m -150.94 146.73 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 0.6 OUTLIER -123.34 146.62 47.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 109.384 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.598 HG22 ' C ' ' A' ' 130' ' ' ASP . 3.2 t -40.2 108.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 1.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.22 -3.53 10.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 1.0 111.044 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.38 135.11 44.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.783 . . . . 1.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.811 HG21 ' CE1' ' A' ' 102' ' ' PHE . 58.0 m -58.27 144.89 39.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 129' ' ' ALA . 3.3 mt -112.85 -34.17 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.564 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 174.89 -173.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 108.328 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.458 HG13 ' CE2' ' A' ' 102' ' ' PHE . 4.6 mt -124.96 158.78 32.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 1.0 109.235 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 127' ' ' ILE . 36.4 t -143.35 125.2 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.3 tt0 -83.76 127.95 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.02 167.48 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 20.8 ptp 42.59 45.6 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 1.0 110.937 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.2 51.69 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 1.0 109.358 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.27 154.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 1.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -78.3 138.52 38.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 111.068 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -130.2 106.92 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.746 ' CG ' HG23 ' A' ' 114' ' ' THR . 13.7 tt0 -79.24 146.96 32.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.491 HD11 HG21 ' A' ' 118' ' ' VAL . 1.7 mt -109.07 116.62 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 1.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -95.7 114.62 26.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 110.315 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.644 ' HA ' HD12 ' A' ' 115' ' ' LEU . . . -40.39 132.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 1.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.598 ' C ' HG22 ' A' ' 111' ' ' VAL . 38.6 m-20 -117.76 14.24 14.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 1.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.5 OUTLIER -164.84 93.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.407 1.067 . . . . 1.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 63.5 p -39.08 138.66 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 1.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -170.05 -172.32 36.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 1.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.476 ' HB ' ' CG ' ' A' ' 156' ' ' GLU . 1.2 m -128.51 149.21 50.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 1.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.676 HG11 ' H ' ' A' ' 106' ' ' GLY . 11.9 p -41.44 161.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.576 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -151.89 -45.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 1.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.48 132.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.708 ' H ' HD12 ' A' ' 138' ' ' ILE . 0.4 OUTLIER -101.6 114.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.926 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -83.76 -42.67 16.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 1.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.593 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.4 p -78.31 159.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 1.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.02 162.25 16.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 1.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.0 t -75.38 92.33 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 119.05 -5.81 13.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.42 1.075 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.82 150.73 72.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 1.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.4 Cg_endo -75.05 159.19 41.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.596 1.84 . . . . 1.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.787 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.4 m -138.82 157.97 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.787 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.3 mt-10 -127.79 162.02 27.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.357 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.752 ' H ' HG22 ' A' ' 88' ' ' VAL . 25.5 t80 -64.56 131.6 47.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 1.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.6 t70 82.32 -4.25 1.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.595 1.184 . . . . 1.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -82.49 141.15 45.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 1.0 110.247 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.707 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.6 Cg_endo -74.88 153.59 42.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 1.0 111.071 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 85' ' ' SER . 82.9 mt -123.29 -81.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.4 1.062 . . . . 1.0 109.361 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 138' ' ' ILE . 4.7 t -115.34 139.55 41.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.926 HG23 HD21 ' A' ' 139' ' ' LEU . 86.3 t -102.89 118.98 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 11.2 mm -104.3 162.5 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.476 ' CG ' ' HB ' ' A' ' 134' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 1.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 tpp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.468 0.175 . . . . 1.0 110.995 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.39 139.01 50.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 1.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.843 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -46.28 -54.31 18.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 1.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.843 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.91 58.4 4.81 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.487 1.783 . . . . 1.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . 55.21 -176.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 1.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . 69.75 178.96 0.25 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 1.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -162.3 110.91 1.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 1.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -178.51 179.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 1.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 78' ' ' ILE . 15.4 mm 65.04 155.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 1.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' GLY . 0.4 OUTLIER 66.64 37.77 4.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 1.0 109.952 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 79' ' ' SER . . . -38.85 159.1 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 1.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.567 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 17.4 m-70 -117.0 175.24 5.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 1.0 109.587 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -138.61 115.9 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 1.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.461 HG12 HD12 ' A' ' 152' ' ' LEU . 53.7 t -80.87 117.39 26.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -104.38 119.62 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 1.0 110.354 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.6 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -38.88 99.47 0.19 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 1.0 110.021 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 1.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.2 tpp -159.83 115.21 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 1.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.83 HG13 ' HA ' ' A' ' 147' ' ' GLU . 10.7 t -56.12 145.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.18 -118.51 0.91 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 1.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 98.0 m -130.05 166.53 19.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 1.0 110.339 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.751 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.2 t80 -137.65 133.64 34.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 63.4 m-85 -127.09 153.59 45.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 1.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.685 HH21 ' HB3' ' A' ' 116' ' ' CYS . 0.9 OUTLIER -104.27 -13.97 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.972 HG22 ' HA ' ' A' ' 101' ' ' ALA . 69.5 p -135.38 155.57 78.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -10.54 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 1.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -159.66 174.63 3.81 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.409 1.068 . . . . 1.0 109.97 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.03 -34.5 3.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 1.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.0 19.91 18.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.626 1.204 . . . . 1.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -98.8 150.77 21.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.167 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -52.37 170.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 1.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.972 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -101.5 138.1 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.851 ' CE1' HG21 ' A' ' 114' ' ' THR . 20.2 m-85 -61.88 -38.83 89.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -150.42 103.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -87.71 133.14 33.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 1.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.678 HG22 HD11 ' A' ' 138' ' ' ILE . 62.6 t -40.4 117.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 1.0 109.296 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.728 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.55 25.27 6.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 1.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -124.32 165.36 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 1.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.75 174.67 5.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 1.0 109.223 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.453 ' CG1' HG12 ' A' ' 103' ' ' ILE . 16.0 m -152.4 150.95 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 1.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.442 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.7 m120 -137.01 146.54 45.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 1.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.4 108.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 1.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.27 -15.21 6.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 1.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.17 138.19 34.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.771 . . . . 1.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.851 HG21 ' CE1' ' A' ' 102' ' ' PHE . 94.2 m -53.82 173.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 1.0 110.437 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 129' ' ' ALA . 5.3 tp -136.8 -46.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.685 ' HB3' HH21 ' A' ' 93' ' ' ARG . 14.0 p -175.38 -168.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 108.253 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.422 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.9 mt -132.97 153.38 37.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 1.0 109.271 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 127' ' ' ILE . 43.7 t -133.74 131.74 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -99.61 128.63 45.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 1.0 110.242 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.539 ' HB1' ' SD ' ' A' ' 121' ' ' MET . . . -154.86 149.86 26.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 1.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.539 ' SD ' ' HB1' ' A' ' 120' ' ' ALA . 2.4 mpt? 52.48 25.49 3.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 1.0 111.051 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.58 42.31 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 1.0 109.247 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.9 147.18 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.82 131.39 35.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -132.36 101.2 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 1.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.94 157.75 27.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 118' ' ' VAL . 5.1 mt -128.96 115.88 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 1.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -86.42 153.29 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.509 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -63.46 141.03 58.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 1.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -121.03 21.59 11.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 81' ' ' HIS . 0.1 OUTLIER 173.8 106.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.442 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 84.0 p -50.64 149.12 3.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 1.0 109.95 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.442 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 169.92 -174.76 44.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 1.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 135' ' ' VAL . 12.9 m -116.75 165.62 13.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 1.0 110.406 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.728 HG11 ' H ' ' A' ' 106' ' ' GLY . 14.8 p -52.92 162.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.353 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.664 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -149.01 -49.73 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.242 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.56 133.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 1.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.878 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -106.56 114.28 45.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.789 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -83.19 -42.86 16.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.59 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.5 p -81.8 149.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.27 165.35 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.1 p -72.67 88.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.18 -12.52 6.75 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.465 1.103 . . . . 1.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.47 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -71.32 150.48 94.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 1.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -75.02 164.7 32.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.767 . . . . 1.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.751 HG11 ' HB2' ' A' ' 91' ' ' PHE . 20.7 m -142.41 157.85 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 1.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.83 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.9 mt-10 -135.5 160.07 39.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.737 ' H ' HG22 ' A' ' 88' ' ' VAL . 39.1 t80 -63.75 132.02 49.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 1.0 111.08 179.891 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.93 -10.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 -179.925 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 0.0 OUTLIER -80.72 144.77 56.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 1.0 110.363 179.952 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.694 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.0 Cg_endo -75.06 156.02 42.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.549 1.815 . . . . 1.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.6 HD11 ' HA ' ' A' ' 85' ' ' SER . 36.4 mt -120.87 -80.3 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 1.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.878 HG22 HG23 ' A' ' 138' ' ' ILE . 13.7 t -130.34 138.68 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.664 HG12 ' HB3' ' A' ' 136' ' ' LYS . 71.8 t -97.49 123.34 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -106.56 164.15 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.387 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.502 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.9 tp10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.531 0.205 . . . . 1.0 110.977 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.39 -55.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 1.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.825 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -40.55 -54.56 4.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.825 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -75.06 56.61 4.34 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.778 . . . . 1.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.38 94.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.287 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.558 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -57.56 -61.15 2.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 1.0 109.264 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . 74.51 -61.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 59.41 157.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 1.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.439 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.6 pp -135.02 160.66 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 1.0 109.297 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.56 114.74 10.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 1.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.407 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -44.35 169.34 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.434 1.084 . . . . 1.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.735 ' CE1' HD12 ' A' ' 155' ' ' ILE . 1.2 p80 -119.25 171.05 8.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 0.78 . . . . 1.0 109.603 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.947 HG13 HG13 ' A' ' 154' ' ' VAL . 2.9 mt -137.4 117.79 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.669 HG23 ' HE1' ' A' ' 81' ' ' HIS . 37.7 t -78.37 121.17 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -109.05 120.39 42.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.554 ' OG ' HG21 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -45.83 103.99 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 1.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.69 8.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.531 1.806 . . . . 1.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.9 mtp -154.91 141.94 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 148' ' ' PHE . 9.4 t -78.91 139.0 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.18 -122.87 1.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 1.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.503 ' O ' HG13 ' A' ' 118' ' ' VAL . 93.7 m -127.07 168.29 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 1.0 110.447 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.777 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.8 t80 -140.32 129.63 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 1.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 77.1 m-85 -123.06 163.77 19.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 1.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.757 HH11 HG21 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -111.7 -13.78 13.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 1.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.903 HG22 ' HA ' ' A' ' 101' ' ' ALA . 26.4 p -136.94 155.37 76.37 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.595 1.184 . . . . 1.0 110.452 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.16 10.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 1.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -145.77 178.7 1.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.0 -39.75 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 1.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -106.8 43.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.14 156.14 35.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -60.91 170.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.903 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -98.36 133.2 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.933 ' CD1' HG21 ' A' ' 114' ' ' THR . 31.4 m-85 -60.01 -37.41 79.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -135.86 94.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.496 ' HG2' ' HB3' ' A' ' 101' ' ' ALA . 2.2 mm-40 -83.33 112.58 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 1.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.495 HG22 HD11 ' A' ' 138' ' ' ILE . 79.4 t -40.53 116.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 1.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.587 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 107.99 17.15 11.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 1.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -120.33 166.93 12.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 1.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -111.05 161.58 15.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 1.0 109.344 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.66 146.23 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 1.0 109.335 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.465 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 3.4 p30 -127.56 146.14 50.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.39 -7.89 9.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 1.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.93 138.49 35.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 1.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.933 HG21 ' CD1' ' A' ' 102' ' ' PHE . 90.7 m -52.29 174.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.511 ' H ' HG22 ' A' ' 114' ' ' THR . 4.5 tp -138.67 -45.98 0.49 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.558 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -176.55 -164.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 108.348 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.607 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.0 mt -135.05 155.03 37.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 109.363 179.882 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 90' ' ' THR . 47.9 t -141.42 126.63 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.417 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.2 tt0 -85.13 126.92 34.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 1.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.95 157.49 29.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 1.8 mtp 46.76 41.14 9.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 121' ' ' MET . 10.8 ptmt 48.64 47.17 20.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 1.0 109.335 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.12 144.78 5.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ptm -71.42 133.95 46.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 1.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -128.4 102.59 6.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -64.06 159.09 20.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.8 mm -125.98 115.85 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 109.328 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -93.95 149.87 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -67.12 165.06 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 1.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.14 18.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 10.8 tttt 179.98 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 62.6 p -39.35 146.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 110.025 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.03 -173.45 46.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 1.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 155' ' ' ILE . 1.1 m -122.12 154.45 37.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 1.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.587 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.9 p -45.1 159.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.368 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 18.5 tttt -144.21 -48.77 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 1.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 174.37 132.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 1.0 109.364 -179.917 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.45 125.51 57.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.889 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -93.16 -42.84 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 109.362 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.55 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.3 p -76.88 165.69 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 1.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.463 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.0 OUTLIER -118.88 166.13 13.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 1.0 110.305 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.64 94.01 5.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.007 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 117.35 -6.53 16.74 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 1.0 111.001 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -79.86 151.28 73.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 1.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.1 Cg_endo -75.01 159.73 40.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 91' ' ' PHE . 4.4 m -139.43 157.14 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.638 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -129.71 155.33 46.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.369 179.935 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.851 ' H ' HG22 ' A' ' 88' ' ' VAL . 10.7 t80 -62.46 135.72 57.56 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.527 1.142 . . . . 1.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.5 t0 84.48 -7.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 10.9 mm-40 -85.51 148.72 50.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 1.0 110.268 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.768 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.0 162.99 36.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 1.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.492 HD12 HG12 ' A' ' 83' ' ' VAL . 29.7 mt -127.93 -80.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 138' ' ' ILE . 5.8 t -131.33 140.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 1.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.947 HG13 HG13 ' A' ' 82' ' ' ILE . 3.5 t -100.22 130.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.735 HD12 ' CE1' ' A' ' 81' ' ' HIS . 19.7 mt -117.15 164.25 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.508 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.3 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 1.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.8 ttt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.43 0.157 . . . . 1.0 110.975 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.83 -59.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.545 1.153 . . . . 1.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 43.74 84.39 0.19 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 118.24 5.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.466 1.771 . . . . 1.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.51 69.12 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.26 135.06 38.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.86 99.45 3.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 1.0 109.241 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 78' ' ' ILE . 0.8 OUTLIER -174.04 73.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 1.0 110.255 179.958 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER 45.83 -169.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.49 -62.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 109.969 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.85 118.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 1.0 111.021 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.71 104.04 7.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 1.0 109.561 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.835 ' CG1' HG13 ' A' ' 154' ' ' VAL . 5.9 mt -94.54 122.55 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.748 HG12 HD12 ' A' ' 152' ' ' LEU . 55.1 t -74.91 117.17 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 1.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -107.28 113.82 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.295 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.502 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -40.83 101.3 0.24 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 1.0 110.036 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 0.42 8.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.585 1.834 . . . . 1.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.2 tpp -154.69 133.97 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.924 HG13 ' HA ' ' A' ' 147' ' ' GLU . 2.8 t -69.91 140.59 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.98 -121.09 1.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 1.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 85.0 m -131.93 165.17 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 1.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.8 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.9 t80 -135.23 131.05 36.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 1.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 57.9 m-85 -124.35 148.97 47.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 1.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.6 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 23.8 mmm-85 -97.59 -13.75 21.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 1.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.944 HG22 ' HA ' ' A' ' 101' ' ' ALA . 21.4 p -136.92 155.59 76.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.12 21.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 1.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.456 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -159.68 175.48 3.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.968 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.09 -32.43 5.29 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 1.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -118.53 35.39 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.53 160.21 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 173.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 109.36 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.944 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -101.56 133.01 46.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.687 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 32.6 m-85 -60.17 -37.35 79.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.514 HG21 ' HA ' ' A' ' 115' ' ' LEU . 1.4 pp -142.36 98.92 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 1.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.89 114.89 20.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.1 t -42.02 116.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 1.0 109.372 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.631 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.95 11.48 16.29 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -115.64 171.17 7.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 1.0 110.314 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 159.16 18.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 109.216 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 132' ' ' SER . 27.4 m -136.77 134.08 48.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 1.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -122.97 150.28 43.19 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.457 1.098 . . . . 1.0 109.217 -179.927 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.58 109.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.12 -14.6 7.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 1.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.14 137.63 32.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.631 HG21 ' CD1' ' A' ' 102' ' ' PHE . 59.5 m -63.3 162.92 11.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 1.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.719 HD23 HG21 ' A' ' 83' ' ' VAL . 1.4 tp -123.46 -43.23 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.267 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.551 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.0 p -176.05 -168.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 1.0 108.259 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 125' ' ' ASN . 16.1 mm -131.1 148.73 32.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.514 1.134 . . . . 1.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.616 ' CG2' HD11 ' A' ' 127' ' ' ILE . 38.9 t -129.26 127.15 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 1.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.15 135.65 41.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 1.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -133.32 -175.96 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.9 mmm -39.92 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 1.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 120' ' ' ALA . 10.3 ptmm? 40.16 54.96 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.99 117.39 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.606 1.191 . . . . 1.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -91.48 134.81 34.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 1.0 111.023 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.74 ' O ' HG23 ' A' ' 117' ' ' ILE . 10.2 m120 -133.98 162.84 30.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.619 ' CG ' HG23 ' A' ' 114' ' ' THR . 8.0 tt0 -128.68 154.36 46.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 1.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.616 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -111.94 117.16 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -97.56 128.91 44.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 1.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.48 133.02 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -119.1 14.83 13.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.35 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.89 90.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 1.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 85.4 p -39.24 135.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 1.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.87 -173.16 41.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 1.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.4 m -115.18 154.51 28.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 1.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.631 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.4 p -49.73 145.59 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.684 ' HE3' HG12 ' A' ' 154' ' ' VAL . 1.8 ttpp -124.68 -45.54 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.98 133.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.316 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.968 HG23 HG22 ' A' ' 153' ' ' VAL . 1.6 mt -100.23 130.52 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.748 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -99.95 -46.52 5.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 1.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.57 HG11 ' CD2' ' A' ' 91' ' ' PHE . 14.9 p -69.71 167.89 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 1.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.488 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.3 OUTLIER -120.48 160.01 24.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 1.0 110.337 179.958 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.3 p -73.85 89.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 110.011 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 122.49 -10.1 9.25 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 1.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.49 149.19 86.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 1.0 110.285 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.46 43.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 1.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.8 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.9 m -138.82 163.64 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.924 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.4 pt-20 -138.43 163.37 32.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 1.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.859 ' H ' HG22 ' A' ' 88' ' ' VAL . 24.7 t80 -62.75 134.79 56.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.063 . . . . 1.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 11.7 t0 81.73 -3.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 1.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.447 ' HB2' ' CG ' ' A' ' 147' ' ' GLU . 2.5 tm-20 -86.46 139.82 33.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.748 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.02 158.32 42.19 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.473 1.775 . . . . 1.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.748 HD12 HG12 ' A' ' 83' ' ' VAL . 35.2 mt -127.83 -79.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.968 HG22 HG23 ' A' ' 138' ' ' ILE . 5.8 t -124.99 140.62 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 1.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.835 HG13 ' CG1' ' A' ' 82' ' ' ILE . 35.2 t -101.08 130.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.6 mp -121.27 163.73 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 1.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.486 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 6.9 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.534 0.207 . . . . 1.0 110.997 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 3.9 pt-20 -70.99 -5.73 33.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 168.28 -54.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.85 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.97 112.9 3.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.54 1.811 . . . . 1.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.72 120.09 2.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 1.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -155.07 100.82 2.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.373 1.046 . . . . 1.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . 70.73 -62.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' OE1' ' NZ ' ' A' ' 131' ' ' LYS . 31.8 tt0 42.54 69.88 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 1.0 110.372 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.779 ' H ' HD13 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -118.17 -39.81 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.414 ' N ' HG12 ' A' ' 78' ' ' ILE . 16.5 p 174.18 84.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 1.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 179.96 86.68 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.544 1.152 . . . . 1.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.601 ' CD2' HG22 ' A' ' 155' ' ' ILE . 0.2 OUTLIER -110.97 106.73 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 1.0 109.594 179.965 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.6 mp -91.22 116.2 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 1.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.938 HG12 HD12 ' A' ' 152' ' ' LEU . 62.4 t -81.97 121.6 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.421 1.076 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -113.8 128.83 56.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 1.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.812 ' HA ' HD11 ' A' ' 152' ' ' LEU . 13.4 t -47.98 105.26 0.47 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 1.0 109.968 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.53 8.79 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.457 1.767 . . . . 1.0 111.022 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.66 125.78 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 1.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.746 HG22 ' H ' ' A' ' 148' ' ' PHE . 20.9 t -53.7 138.22 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.78 -143.16 7.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 1.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 143' ' ' GLY . 86.6 m -123.9 120.12 31.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 1.0 110.395 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.692 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.2 t80 -86.28 128.52 34.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 40.0 m-85 -121.05 146.01 47.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 1.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.513 ' HD3' HG21 ' A' ' 138' ' ' ILE . 5.9 mmm180 -95.04 -15.06 23.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.964 HG22 ' HA ' ' A' ' 101' ' ' ALA . 68.8 p -130.58 155.51 81.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 110.422 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -74.93 -29.74 8.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.382 1.728 . . . . 1.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.491 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -140.59 177.72 1.86 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 1.0 109.973 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.04 -44.7 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 1.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -99.35 50.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.78 143.91 43.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.401 1.063 . . . . 1.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 168.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.964 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -77.63 132.97 38.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.954 ' CE1' HG21 ' A' ' 114' ' ' THR . 5.5 m-85 -47.51 -43.14 24.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.11 126.44 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 1.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -96.36 115.68 27.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 1.0 110.323 179.936 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.654 HG22 HD11 ' A' ' 138' ' ' ILE . 79.8 t -39.95 116.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 1.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.597 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 114.54 11.54 11.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.45 165.57 13.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 1.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.57 161.39 14.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 133' ' ' GLY . 26.3 m -139.99 141.5 33.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 1.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.408 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 23.5 t-20 -126.52 148.36 49.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.44 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 1.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.65 -15.64 5.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 1.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.84 135.71 33.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 0.798 . . . . 1.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.954 HG21 ' CE1' ' A' ' 102' ' ' PHE . 49.4 m -61.03 149.25 37.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 1.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 115' ' ' LEU . 4.0 tp -116.7 -38.46 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 15.6 p -179.47 -171.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 95' ' ' PRO . 6.0 mt -133.06 158.3 43.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 1.0 109.396 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.543 HG21 HD11 ' A' ' 127' ' ' ILE . 94.2 t -138.29 120.24 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -94.31 125.3 38.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 1.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.78 142.53 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.4 mmm 53.85 29.18 9.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 1.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? 69.09 37.05 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.69 131.31 24.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.2 mtt -78.12 133.22 37.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -134.61 103.35 5.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.288 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.58 158.3 27.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 1.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.543 HD11 HG21 ' A' ' 118' ' ' VAL . 3.3 mt -132.63 115.85 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 1.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -88.11 149.84 23.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 1.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.58 133.13 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.01 17.8 19.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' NZ ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 177.81 90.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 1.0 109.376 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.408 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 87.3 p -39.41 143.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.0 109.967 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.485 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 172.6 -172.94 45.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.102 . . . . 1.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 155' ' ' ILE . 3.2 m -107.66 165.45 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 1.0 110.438 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.597 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.9 p -62.07 147.63 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.514 1.133 . . . . 1.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -126.67 -47.22 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 1.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.81 135.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.759 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -101.9 118.2 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.918 HD21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -88.43 -42.32 12.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 1.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.586 HG13 ' CE1' ' A' ' 91' ' ' PHE . 13.2 p -83.54 148.49 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 1.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.47 161.64 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 1.0 110.345 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.1 p -65.15 99.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 1.0 110.052 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 119.61 -26.46 7.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 1.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.458 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 28.8 tt0 -56.6 140.39 74.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 1.0 110.36 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.5 Cg_endo -75.0 159.83 40.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 1.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.692 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.7 m -141.33 157.05 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.512 ' HG2' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.72 165.58 19.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 110.256 -179.934 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.746 ' H ' HG22 ' A' ' 88' ' ' VAL . 19.8 t80 -64.69 128.97 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 1.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 7.1 t70 84.68 3.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 1.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.478 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 23.4 mm-40 -89.81 150.47 43.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.614 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.04 165.28 31.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 1.0 111.033 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.938 HD12 HG12 ' A' ' 83' ' ' VAL . 80.9 mt -135.05 -81.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.759 HG22 HG23 ' A' ' 138' ' ' ILE . 9.3 t -133.11 149.43 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 1.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.918 HG23 HD21 ' A' ' 139' ' ' LEU . 27.6 t -103.28 127.11 57.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.601 HG22 ' CD2' ' A' ' 81' ' ' HIS . 1.9 mp -116.16 164.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 1.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 1.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.513 0.197 . . . . 1.0 110.992 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.517 ' OE1' ' HB2' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -164.22 171.44 14.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 1.0 110.203 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.517 ' HB2' ' OE1' ' A' ' 71' ' ' GLU . . . 63.09 68.76 0.91 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 1.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 174.77 12.19 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.54 1.811 . . . . 1.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.28 -60.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 1.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 76' ' ' ALA . . . -174.49 91.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.35 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -40.46 -61.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 1.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -179.1 59.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.0 110.315 -179.959 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 78' ' ' ILE . 1.1 tp 55.98 166.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.8 p -172.41 -47.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 1.0 110.044 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.15 125.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 1.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 130' ' ' ASP . 1.9 t60 -149.64 124.21 9.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 1.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.931 HG13 HG13 ' A' ' 154' ' ' VAL . 2.7 mp -100.45 118.28 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.77 HG21 HD23 ' A' ' 115' ' ' LEU . 86.4 t -63.97 116.53 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -108.97 103.1 12.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.654 ' HB2' HD11 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -39.56 104.6 0.33 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 1.0 109.935 -179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.53 8.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.369 1.721 . . . . 1.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.5 mtt -148.74 128.73 13.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 1.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.753 HG13 ' HA ' ' A' ' 147' ' ' GLU . 21.0 t -69.92 141.3 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 1.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.95 -123.27 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 1.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.473 ' CA ' HG22 ' A' ' 146' ' ' VAL . 98.8 m -125.28 168.94 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 1.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.837 ' HD2' HD13 ' A' ' 152' ' ' LEU . 4.4 t80 -139.3 139.08 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 1.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.7 m-85 -133.37 150.74 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.819 ' CZ ' HD13 ' A' ' 138' ' ' ILE . 13.5 mmm180 -97.61 -16.41 20.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 1.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.961 HG22 ' HA ' ' A' ' 101' ' ' ALA . 82.4 p -131.99 155.54 81.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 1.0 110.466 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.03 15.22 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.441 1.759 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.79 169.17 9.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 1.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.67 13.55 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 1.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.64 35.94 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.99 148.65 46.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -56.54 170.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 1.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.961 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -88.76 134.48 33.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 1.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.843 ' CE1' HG21 ' A' ' 114' ' ' THR . 10.0 m-85 -53.87 -40.99 67.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 1.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.464 HG23 ' NH2' ' A' ' 93' ' ' ARG . 0.4 OUTLIER -137.16 129.33 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 1.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 2.7 tt0 -106.68 119.64 39.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 1.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . 59.6 t -40.39 116.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.662 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.03 26.19 4.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 1.0 111.063 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.01 161.82 34.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 1.0 110.236 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -104.23 174.63 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 1.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 133' ' ' GLY . 16.8 m -151.09 138.88 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 1.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' VAL . 2.0 t-20 -127.67 148.94 50.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -40.45 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 1.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.21 -6.46 6.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.581 1.176 . . . . 1.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.44 137.77 46.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 0.734 . . . . 1.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.843 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.3 m -59.17 174.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.425 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.77 HD23 HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -136.61 -46.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 1.0 109.359 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -174.53 -163.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 1.0 108.29 179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.461 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.3 mt -138.5 152.63 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 127' ' ' ILE . 16.3 t -135.49 133.15 52.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 1.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.419 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.0 tt0 -95.37 129.87 42.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.02 169.1 8.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.5 ptp 42.53 45.71 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm 41.53 51.84 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.25 157.61 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 1.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttp -80.57 143.02 33.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -137.42 98.45 3.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -68.67 153.55 43.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 1.0 110.31 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 118' ' ' VAL . 4.0 mt -120.69 115.77 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -93.13 146.38 23.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 110.348 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.75 133.13 21.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 1.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.444 ' OD2' ' NE2' ' A' ' 81' ' ' HIS . 2.2 p30 -124.35 15.74 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -173.11 84.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.0 p -39.25 132.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.005 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 109' ' ' VAL . . . -179.72 -173.1 44.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 1.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 135' ' ' VAL . 14.3 m -108.99 170.88 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 1.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.662 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.9 p -64.79 145.56 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.454 1.097 . . . . 1.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.642 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -124.73 -46.86 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 1.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.9 133.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.89 HG23 HG22 ' A' ' 153' ' ' VAL . 1.2 mt -102.06 133.09 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 1.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -104.63 -44.75 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.642 HG13 ' CE1' ' A' ' 91' ' ' PHE . 12.2 p -82.62 141.42 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.8 -179.24 3.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 1.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.6 99.08 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 1.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.51 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 121.97 -29.42 5.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 1.0 111.001 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -52.47 150.16 9.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 1.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.01 175.12 11.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 1.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.643 HG12 ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -148.57 156.54 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 1.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.753 ' HA ' HG13 ' A' ' 88' ' ' VAL . 10.6 tt0 -134.99 170.43 15.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 110.327 179.929 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.748 ' N ' HG22 ' A' ' 88' ' ' VAL . 32.6 t80 -59.67 137.29 58.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 1.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 55.28 19.27 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 1.0 109.305 179.937 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 36.7 tp10 -80.72 135.15 52.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 1.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.47 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.02 122.89 7.48 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 1.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.837 HD13 ' HD2' ' A' ' 91' ' ' PHE . 23.4 mt -99.64 -77.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.89 HG22 HG23 ' A' ' 138' ' ' ILE . 3.6 t -124.88 139.89 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.931 HG13 HG13 ' A' ' 82' ' ' ILE . 21.0 t -96.38 125.17 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 1.0 109.236 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.468 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.7 mp -113.03 160.76 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 1.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 1.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 14.0 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.537 0.208 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -178.16 119.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 1.0 110.331 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.72 79.84 1.34 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 1.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -40.65 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 1.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.53 100.25 7.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 1.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.62 -61.08 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.172 . . . . 1.0 109.293 179.927 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 55.8 172.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 1.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.18 128.2 34.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.52 HD13 ' N ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -41.54 157.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 1.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.4 t -59.65 -63.79 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.95 -179.893 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.18 161.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 1.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.406 ' CD2' ' HB2' ' A' ' 131' ' ' LYS . 3.3 t60 -131.52 126.68 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 1.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.924 HG13 HG13 ' A' ' 154' ' ' VAL . 5.0 mp -92.06 129.67 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 1.0 109.26 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.3 t -83.7 120.96 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -99.67 125.29 45.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.72 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -47.23 104.82 0.43 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 109.999 -179.927 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.35 8.98 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.553 1.818 . . . . 1.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.1 tpt -159.96 143.8 14.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.856 HG22 ' H ' ' A' ' 148' ' ' PHE . 7.2 t -79.67 139.12 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.62 -122.12 1.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 1.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 91' ' ' PHE . 97.5 m -127.76 169.55 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.771 . . . . 1.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.784 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.6 t80 -139.93 140.44 36.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 1.0 110.985 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 72.0 m-85 -133.82 150.3 51.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.511 ' HD3' HG21 ' A' ' 138' ' ' ILE . 6.1 mmm180 -94.95 -18.76 20.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.957 HG22 ' HA ' ' A' ' 101' ' ' ALA . 44.7 p -129.27 155.4 80.04 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.471 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -75.02 -28.94 8.71 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.799 . . . . 1.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -141.86 175.05 3.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 1.0 110.065 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 -44.55 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 1.0 111.049 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.47 24.07 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.51 138.49 49.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 1.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -56.97 178.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 1.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.957 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -85.39 133.13 34.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.843 ' CE1' HG21 ' A' ' 114' ' ' THR . 5.3 m-85 -49.6 -42.63 45.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 1.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.873 HD12 HD13 ' A' ' 115' ' ' LEU . 17.4 mt -129.46 121.57 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -90.26 112.84 24.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.484 ' HA ' HG21 ' A' ' 135' ' ' VAL . 55.8 t -40.33 116.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.556 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 103.01 27.35 6.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 1.0 111.063 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 134' ' ' THR . 0.0 OUTLIER -123.98 161.66 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 1.0 110.23 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -98.35 141.46 31.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 1.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 103' ' ' ILE . 17.5 m -138.82 130.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 22.0 m-80 -122.01 155.07 36.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 1.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -40.46 112.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 1.0 109.264 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.14 -23.62 4.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 1.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.11 135.09 37.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.736 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.843 HG21 ' CE1' ' A' ' 102' ' ' PHE . 94.0 m -51.23 174.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.873 HD13 HD12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -136.91 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 1.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.559 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -172.96 -164.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.475 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.3 mt -137.1 152.78 28.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' THR . 54.9 t -135.32 128.81 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 1.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -91.95 128.96 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 1.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -163.3 151.71 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.0 mtp 53.29 21.22 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.95 40.84 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 1.0 109.368 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.6 mmm -149.14 152.5 36.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.93 103.07 15.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -95.25 112.75 24.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 1.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -73.89 143.76 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.6 mm -111.33 115.82 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -90.02 136.47 33.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 1.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.771 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -40.43 133.1 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 1.0 109.23 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -120.06 15.47 12.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 81' ' ' HIS . 3.5 mttp -179.68 91.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 1.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.471 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 56.9 p -39.22 149.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.41 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . 179.04 -173.29 45.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 1.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.749 ' O ' HG12 ' A' ' 135' ' ' VAL . 42.6 m -128.0 65.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 1.0 110.378 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 134' ' ' THR . 6.3 p 50.63 178.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 1.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.68 ' H ' HG22 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -166.6 -48.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.93 133.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 1.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.869 HG23 HG22 ' A' ' 153' ' ' VAL . 2.3 mm -97.22 123.44 49.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 1.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.794 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -93.24 -44.13 8.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.639 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.3 p -86.79 144.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 1.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.92 168.04 11.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 1.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 59.5 p -76.68 90.09 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 1.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.1 -5.43 7.31 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 1.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -79.3 150.13 73.51 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 1.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -74.96 161.21 39.25 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.485 1.781 . . . . 1.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 91' ' ' PHE . 12.4 m -140.54 157.39 24.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.66 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.6 mt-10 -133.04 154.71 50.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.611 1.194 . . . . 1.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.856 ' H ' HG22 ' A' ' 88' ' ' VAL . 16.4 t80 -62.57 135.08 57.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.0 t70 83.16 -5.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.3 mm-40 -89.04 150.11 44.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 1.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.696 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.01 155.29 42.88 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.792 . . . . 1.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.72 HD11 ' HA ' ' A' ' 85' ' ' SER . 78.5 mt -124.57 -81.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.869 HG22 HG23 ' A' ' 138' ' ' ILE . 83.4 t -123.44 152.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 1.0 109.233 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.924 HG13 HG13 ' A' ' 82' ' ' ILE . 23.5 t -113.43 120.37 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 1.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.697 HD11 HD11 ' A' ' 115' ' ' LEU . 2.2 mp -112.36 163.24 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.0 109.286 -179.92 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.9 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 1.0 110.327 179.916 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.538 0.209 . . . . 1.0 110.989 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.61 -59.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.839 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -46.93 -54.47 19.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 1.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.839 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.95 117.9 5.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 1.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.4 -61.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 1.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.49 -61.11 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.63 -61.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.28 139.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 1.0 110.192 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -166.4 -44.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 t -77.16 98.23 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.6 98.87 1.68 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 1.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -151.51 121.18 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 1.0 109.613 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.914 HG13 HG13 ' A' ' 154' ' ' VAL . 4.4 mp -95.04 119.36 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.891 HG21 HD23 ' A' ' 115' ' ' LEU . 55.0 t -72.9 117.29 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 1.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 7.9 mtm-85 -113.05 124.71 53.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 1.143 . . . . 1.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.476 ' CA ' HD11 ' A' ' 152' ' ' LEU . 1.0 OUTLIER -49.27 105.96 0.57 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 1.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.69 8.61 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.419 1.747 . . . . 1.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.85 123.79 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 147' ' ' GLU . 39.6 t -55.62 142.09 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.509 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 162.11 -114.45 0.61 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 1.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.482 ' C ' HG13 ' A' ' 146' ' ' VAL . 89.9 m -141.13 168.61 19.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 1.0 110.378 -179.944 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.601 ' HB3' HG21 ' A' ' 140' ' ' VAL . 2.3 t80 -138.1 144.1 40.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 61.8 m-85 -139.0 154.82 48.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.6 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.7 mmm-85 -101.55 -14.08 17.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 1.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.967 HG22 ' HA ' ' A' ' 101' ' ' ALA . 42.7 p -134.97 155.46 79.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 1.0 110.406 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -25.33 11.86 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.779 . . . . 1.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.35 178.63 1.38 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 1.0 110.059 179.925 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.91 -46.44 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.798 . . . . 1.0 111.054 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -99.46 48.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.01 152.32 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 1.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -61.56 168.33 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 1.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.967 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -91.0 138.2 31.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 1.0 109.373 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.917 ' CE1' HG21 ' A' ' 114' ' ' THR . 19.4 m-85 -60.62 -39.55 88.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 1.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -147.1 101.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 1.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -91.17 135.86 33.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 1.0 110.263 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.427 ' HA ' HG21 ' A' ' 135' ' ' VAL . 56.5 t -39.9 116.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.92 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.588 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.61 28.54 5.36 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 1.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.73 160.47 34.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 0.716 . . . . 1.0 110.258 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.446 ' C ' HG13 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -113.18 171.81 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.918 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.924 HG21 HD11 ' A' ' 115' ' ' LEU . 33.9 m -154.46 147.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.5 t-20 -121.81 147.71 45.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 1.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.35 109.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 1.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.66 -23.42 6.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 1.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 136.09 35.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.917 HG21 ' CE1' ' A' ' 102' ' ' PHE . 95.4 m -54.89 141.48 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 110.331 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.924 HD11 HG21 ' A' ' 109' ' ' VAL . 1.9 tp -113.5 -31.9 6.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.571 1.17 . . . . 1.0 109.284 179.907 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.5 p 179.11 -173.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 108.276 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 125' ' ' ASN . 4.8 mt -129.29 145.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' THR . 6.8 t -125.98 126.5 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 1.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.27 140.49 34.44 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.52 1.137 . . . . 1.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -136.61 -176.27 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 109.353 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.5 ptm -37.91 94.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.474 1.109 . . . . 1.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 39.87 57.49 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 1.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.23 121.65 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttt -95.47 123.75 39.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.741 ' O ' HG23 ' A' ' 117' ' ' ILE . 4.8 m120 -124.63 157.04 36.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.354 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -116.44 158.47 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.6 mm -115.64 116.44 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.362 1.039 . . . . 1.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 7.6 pt-20 -96.74 118.67 33.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 1.0 110.288 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.853 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.49 133.01 2.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 1.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -118.28 10.5 12.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 1.0 109.334 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.1 mptp? -158.52 84.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 1.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 78' ' ' ILE . 59.9 p -39.11 133.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.54 -172.57 43.05 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 1.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.574 HG22 ' H ' ' A' ' 135' ' ' VAL . 2.5 m -110.12 -174.42 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 1.0 110.34 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.588 HG11 ' H ' ' A' ' 106' ' ' GLY . 14.8 p -71.04 143.0 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.709 ' HD2' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -124.94 -46.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.596 1.185 . . . . 1.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.42 132.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.953 HG23 HG22 ' A' ' 153' ' ' VAL . 1.3 mt -102.68 134.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 1.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -109.85 -43.49 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.4 p -68.13 155.23 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 1.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.1 147.12 37.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 1.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.2 t -60.29 91.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 1.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.06 -17.62 7.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 1.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -64.71 151.39 92.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 1.0 110.313 179.937 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -74.99 159.24 41.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 1.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.3 m -124.14 158.89 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.585 ' HA ' HG22 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -140.04 165.59 26.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 1.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.452 ' N ' HG22 ' A' ' 88' ' ' VAL . 19.0 t80 -59.26 138.1 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 54.98 19.55 2.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 13.5 tm-20 -85.75 132.64 43.66 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.137 . . . . 1.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.436 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.0 Cg_endo -75.02 134.93 18.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 1.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 91' ' ' PHE . 20.4 mt -110.19 -80.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 1.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.953 HG22 HG23 ' A' ' 138' ' ' ILE . 9.9 t -121.81 145.62 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.914 HG13 HG13 ' A' ' 82' ' ' ILE . 23.7 t -103.22 122.22 55.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.459 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.6 mp -111.25 157.41 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.4 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.5 tt0 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 1.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.469 0.176 . . . . 1.0 110.997 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 66.99 121.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 1.0 110.235 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 73' ' ' PRO . . . 59.57 168.53 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 1.0 109.253 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.0 55.84 4.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 1.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.79 -61.07 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.12 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 1.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 57.16 91.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -154.72 59.77 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 1.0 110.248 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 9.9 tp -162.95 158.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 156' ' ' GLU . 38.5 p 50.36 70.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.97 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.433 ' H ' ' CE1' ' A' ' 81' ' ' HIS . . . 163.09 90.15 0.08 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 1.0 111.054 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.635 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -123.68 171.68 9.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 1.0 109.546 -179.933 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.635 HD12 ' C ' ' A' ' 81' ' ' HIS . 4.0 mp -148.21 117.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.248 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.841 HG21 HD13 ' A' ' 115' ' ' LEU . 74.7 t -74.84 116.86 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -108.61 121.23 44.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.621 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -45.78 103.96 0.37 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 1.0 109.988 179.992 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 1.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.93 133.23 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.709 HG22 ' H ' ' A' ' 148' ' ' PHE . 18.2 t -66.02 147.46 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.85 -120.01 0.96 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 1.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 145' ' ' PRO . 31.8 m -132.46 163.05 29.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.798 . . . . 1.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.602 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.6 t80 -134.68 136.41 42.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -129.97 154.11 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 1.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.778 HH12 HD11 ' A' ' 103' ' ' ILE . 10.8 mmm180 -103.64 -13.27 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.972 HG22 ' HA ' ' A' ' 101' ' ' ALA . 45.7 p -136.2 155.76 77.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 1.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.11 21.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.43 1.753 . . . . 1.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.575 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.1 OUTLIER -158.34 177.27 2.17 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 1.0 109.986 -179.889 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 -41.18 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 1.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.47 19.98 19.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -94.17 156.94 16.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 1.0 109.366 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -58.28 169.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.357 -179.982 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.972 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -95.86 134.6 38.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.709 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 26.5 m-85 -58.16 -38.31 76.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 1.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.778 HD11 HH12 ' A' ' 93' ' ' ARG . 1.1 pt -146.87 105.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 1.0 109.399 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.59 123.44 30.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 1.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.567 HG22 HD11 ' A' ' 138' ' ' ILE . 57.5 t -40.41 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 1.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.633 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.82 12.25 19.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.146 . . . . 1.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.34 159.71 19.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 1.0 110.355 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 165.03 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 1.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.8 m -143.2 139.11 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' VAL . 9.7 p-10 -115.02 147.12 40.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.497 HG23 ' H ' ' A' ' 132' ' ' SER . 3.4 t -40.28 109.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 1.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.47 23.72 4.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 1.0 111.052 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.0 132.95 53.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 1.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.639 HG21 ' CE1' ' A' ' 102' ' ' PHE . 34.7 m -58.54 142.76 48.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 1.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.027 HD21 HG22 ' A' ' 127' ' ' ILE . 2.2 pp -112.5 -31.9 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 1.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.777 ' SG ' HD12 ' A' ' 127' ' ' ILE . 13.9 p -178.65 -176.19 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 108.335 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.774 HD13 ' O ' ' A' ' 116' ' ' CYS . 20.4 mm -125.77 153.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.784 ' CG2' HD11 ' A' ' 127' ' ' ILE . 23.3 t -132.5 124.98 52.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 1.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.21 137.23 38.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 1.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -131.75 -175.84 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.05 91.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 1.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 120' ' ' ALA . 1.6 ttpm? 46.2 47.55 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 1.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.42 114.16 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 1.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ttt -87.72 141.7 28.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 1.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.603 ' O ' HG23 ' A' ' 117' ' ' ILE . 11.8 m120 -136.9 155.83 49.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.693 ' HG3' HD12 ' A' ' 117' ' ' ILE . 7.7 mp0 -121.76 142.64 49.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 1.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 1.027 HG22 HD21 ' A' ' 115' ' ' LEU . 5.9 mt -105.58 116.05 48.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -99.5 128.19 45.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 1.0 110.261 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.406 ' N ' HD23 ' A' ' 115' ' ' LEU . . . -40.27 133.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 1.0 109.253 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -109.8 14.55 23.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 1.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.0 tttm 179.93 98.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.362 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.497 ' H ' HG23 ' A' ' 111' ' ' VAL . 6.0 m -39.17 143.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.42 -174.53 47.04 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.538 1.149 . . . . 1.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 31.7 m -115.2 158.37 22.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 0.762 . . . . 1.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.633 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.7 p -49.56 162.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 1.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.576 ' HB3' HG12 ' A' ' 154' ' ' VAL . 4.1 tmtt? -143.93 -50.53 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 1.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.85 132.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.938 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.16 126.16 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 1.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.77 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -96.27 -44.65 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.386 1.054 . . . . 1.0 109.29 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.557 HG11 ' CE2' ' A' ' 91' ' ' PHE . 7.2 p -72.57 160.23 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -122.14 139.42 53.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.2 p -49.0 101.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 1.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 90' ' ' THR . . . 120.36 -35.54 3.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.46 151.18 7.9 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 1.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -74.98 169.0 23.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 1.0 111.055 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -136.7 157.04 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 1.0 109.236 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.489 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.0 tt0 -136.23 159.69 40.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 110.351 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.709 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.0 t80 -66.11 127.18 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 1.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.9 t70 81.88 1.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.467 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 1.5 tt0 -83.52 145.4 47.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 1.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.766 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.98 155.56 43.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 1.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.833 HD12 HG12 ' A' ' 83' ' ' VAL . 88.6 mt -127.16 -81.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 1.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.938 HG22 HG23 ' A' ' 138' ' ' ILE . 5.3 t -129.51 139.47 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.643 HG23 HD21 ' A' ' 139' ' ' LEU . 74.5 t -96.06 127.87 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.7 mp -113.13 163.78 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 1.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.8 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 1.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.6 ttm . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.476 0.179 . . . . 1.0 110.981 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.0 OUTLIER 177.17 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 110.296 -179.942 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 165.14 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 1.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.1 Cg_endo -75.03 -52.42 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.429 1.752 . . . . 1.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 73' ' ' PRO . . . 75.04 -61.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.88 84.14 4.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 60.89 152.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 1.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -92.76 111.18 22.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 1.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.548 HD12 ' O ' ' A' ' 132' ' ' SER . 15.5 mm 65.61 108.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.2 m -176.25 62.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.2 118.43 1.43 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.452 1.095 . . . . 1.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.507 ' CG ' ' HD2' ' A' ' 131' ' ' LYS . 10.7 t60 -120.63 159.63 24.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 1.0 109.623 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.956 ' CD1' HG13 ' A' ' 154' ' ' VAL . 15.5 mm -140.83 121.98 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 1.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.75 116.34 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -112.9 124.39 52.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -49.6 106.14 0.59 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 0.49 8.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 1.0 111.069 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.04 129.75 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 1.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.747 HG22 ' H ' ' A' ' 148' ' ' PHE . 24.7 t -63.15 138.15 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 1.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.04 -125.35 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.12 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.491 ' CA ' HG22 ' A' ' 146' ' ' VAL . 97.8 m -126.45 167.96 14.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 1.0 110.408 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.814 ' HD2' HD13 ' A' ' 152' ' ' LEU . 3.1 t80 -139.6 135.59 33.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.076 . . . . 1.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -128.28 162.83 26.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 1.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.437 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 21.7 mmm-85 -109.99 -13.9 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 1.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.722 HG22 ' HA ' ' A' ' 101' ' ' ALA . 8.5 p -127.69 155.55 76.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.418 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.2 Cg_endo -75.06 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 1.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -139.25 178.59 1.57 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.98 153.41 41.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t70 62.06 22.3 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 1.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -113.2 152.45 29.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -71.97 164.28 26.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.41 1.069 . . . . 1.0 109.27 -179.914 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.722 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -75.68 132.86 40.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 1.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.882 ' CE1' HG21 ' A' ' 114' ' ' THR . 5.7 m-85 -45.5 -43.73 11.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.482 ' C ' HD13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -135.08 119.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 1.0 109.284 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -91.71 116.61 29.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 1.0 110.241 -179.985 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' GLU . 57.8 t -40.23 116.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.62 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 116.37 8.72 12.45 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.137 . . . . 1.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -114.74 171.15 7.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 1.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -110.13 158.81 17.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.504 HG21 HD11 ' A' ' 115' ' ' LEU . 29.1 m -137.4 137.93 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -119.08 147.33 44.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.24 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.36 109.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.84 -21.93 6.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 1.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.42 136.72 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.629 0.841 . . . . 1.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.882 HG21 ' CE1' ' A' ' 102' ' ' PHE . 98.4 m -62.14 150.81 37.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.821 HD13 ' HB2' ' A' ' 129' ' ' ALA . 0.3 OUTLIER -116.78 -38.8 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.546 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.5 p -179.93 -173.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 1.0 108.291 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.438 HG13 ' CE2' ' A' ' 102' ' ' PHE . 4.9 mt -126.61 160.42 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 1.0 109.318 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.551 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.6 t -143.99 132.92 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 1.0 109.239 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.9 tt0 -91.76 128.48 37.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -167.98 168.2 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 1.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 15.1 ptt? 42.52 45.5 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.97 51.87 4.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.73 156.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.422 ' CG ' HG21 ' A' ' 117' ' ' ILE . 36.9 ttp -74.09 144.29 45.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 1.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -137.91 99.49 3.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -73.55 150.78 41.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 1.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.551 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -116.14 117.16 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 1.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -95.99 123.45 39.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.821 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.38 133.01 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.34 14.64 11.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.507 ' HD2' ' CG ' ' A' ' 81' ' ' HIS . 2.3 ttmm -163.2 84.64 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.473 1.108 . . . . 1.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.548 ' O ' HD12 ' A' ' 78' ' ' ILE . 53.4 p -39.2 141.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.12 -174.21 46.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 1.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.5 m -114.29 147.41 39.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.803 . . . . 1.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.62 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.0 p -41.49 160.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.72 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -143.46 -49.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.71 132.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 1.0 109.363 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.928 HG23 HG22 ' A' ' 153' ' ' VAL . 1.7 mt -100.21 120.05 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 1.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.753 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -89.08 -44.18 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.327 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.665 HG13 ' CE1' ' A' ' 91' ' ' PHE . 12.9 p -81.61 159.95 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 1.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.55 176.61 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 1.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 88.8 p -78.12 97.94 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 1.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 90' ' ' THR . . . 123.82 -37.1 2.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.506 1.129 . . . . 1.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -46.5 150.29 1.22 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 1.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.02 176.08 10.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 1.0 111.067 179.91 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.675 HG12 ' CD2' ' A' ' 152' ' ' LEU . 0.5 OUTLIER -147.47 156.79 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 109.224 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -139.83 161.02 38.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 1.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.747 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.8 t80 -62.39 126.87 28.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.467 1.104 . . . . 1.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.2 t70 78.72 13.15 1.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 150' ' ' GLU . 3.1 tp10 -92.78 135.15 26.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 1.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.753 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.95 141.03 26.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.601 1.843 . . . . 1.0 111.006 179.932 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.814 HD13 ' HD2' ' A' ' 91' ' ' PHE . 49.7 mt -113.68 -75.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.928 HG22 HG23 ' A' ' 138' ' ' ILE . 10.6 t -126.46 146.58 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.956 HG13 ' CD1' ' A' ' 82' ' ' ILE . 68.8 t -106.33 126.03 62.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.507 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.2 mt -110.37 164.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.507 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 14.0 tt0 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 1.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 ptp . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.469 0.176 . . . . 1.0 111.011 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 59.5 151.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 1.0 110.257 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.848 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -69.54 -54.58 10.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.848 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.99 103.17 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 1.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.13 92.97 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 1.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.33 74.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 1.0 109.252 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.79 -61.17 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 1.0 109.306 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 64.23 138.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 1.0 110.307 -179.955 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.773 ' C ' HD12 ' A' ' 78' ' ' ILE . 1.6 pp -111.2 170.7 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.641 ' HB2' HD12 ' A' ' 78' ' ' ILE . 2.9 m 47.43 -174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 1.0 109.978 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.46 93.61 1.43 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 1.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.588 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -126.46 111.48 14.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 1.0 109.585 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.079 ' CD1' HG13 ' A' ' 154' ' ' VAL . 7.4 mm -93.29 123.15 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.232 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.899 HG21 ' CD2' ' A' ' 115' ' ' LEU . 57.4 t -84.23 116.36 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 1.0 109.266 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 36.1 mtm180 -107.45 123.04 47.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.718 ' CA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -47.49 105.82 0.53 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 110.021 -179.941 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.64 8.63 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 1.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 11.9 ptp -156.25 122.03 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 1.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.769 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.7 t -60.31 146.55 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.4 -119.2 0.97 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.567 1.167 . . . . 1.0 111.04 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 118' ' ' VAL . 26.1 m -128.34 168.62 15.28 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 0.79 . . . . 1.0 110.403 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.799 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.5 t80 -140.76 141.84 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 1.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 62.4 m-85 -135.13 156.71 48.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 1.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HD3' HG21 ' A' ' 138' ' ' ILE . 29.8 mmm-85 -103.32 -13.8 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 1.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.941 HG22 ' HA ' ' A' ' 101' ' ' ALA . 71.2 p -132.12 155.51 81.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 1.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -26.4 11.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 1.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.483 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -148.02 177.44 1.79 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.0 109.995 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.97 -45.87 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.411 1.742 . . . . 1.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.13 33.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 1.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -118.57 151.3 38.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -66.94 166.97 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.294 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.941 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -81.31 133.24 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.878 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.0 m-85 -53.93 -40.33 66.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 1.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.519 HD12 ' CG1' ' A' ' 109' ' ' VAL . 41.7 mm -133.12 131.14 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 66.8 tt0 -107.5 116.85 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 1.0 110.22 -179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.595 ' HA ' HG21 ' A' ' 135' ' ' VAL . 61.6 t -40.04 116.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.434 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.71 26.18 5.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 1.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -134.49 157.37 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 1.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 134' ' ' THR . 11.9 mtmm -99.11 169.85 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.519 ' CG1' HD12 ' A' ' 103' ' ' ILE . 18.0 m -151.28 147.71 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 111' ' ' VAL . 41.7 t30 -129.03 146.01 51.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -39.68 108.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 1.0 109.374 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.24 -14.76 5.37 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 1.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.78 132.7 42.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.459 0.74 . . . . 1.0 109.35 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.878 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.4 m -56.1 141.86 38.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 110.369 -179.903 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.899 ' CD2' HG21 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -110.22 -33.78 6.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 1.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.573 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.3 p 173.31 -173.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 1.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 3.7 mt -125.55 158.08 34.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 90' ' ' THR . 52.3 t -143.08 125.17 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 109.236 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -83.55 125.61 31.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.604 1.19 . . . . 1.0 110.306 179.899 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.484 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -172.09 175.88 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 1.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.484 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 24.0 ptm 42.31 46.7 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.43 51.8 2.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.35 170.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 1.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.26 132.62 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -122.83 95.29 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 1.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -72.02 154.94 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 1.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.8 mm -116.62 116.22 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 1.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' ALA . 10.2 tt0 -93.37 98.37 11.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.697 ' HA ' HD13 ' A' ' 115' ' ' LEU . . . 37.84 -142.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 1.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 129' ' ' ALA . 1.8 t0 154.52 -23.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 1.0 109.362 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.416 ' CD ' ' HB2' ' A' ' 81' ' ' HIS . 5.6 tttm -170.64 95.03 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 131' ' ' LYS . 32.8 t -38.15 138.09 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.975 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 172.07 -172.65 44.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 1.0 110.977 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 108' ' ' LYS . 15.2 m -112.57 166.16 11.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 1.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.595 HG21 ' HA ' ' A' ' 105' ' ' VAL . 4.3 p -53.9 165.28 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.688 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.4 OUTLIER -149.75 -46.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.77 132.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.767 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -98.64 132.01 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 1.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.675 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -103.36 -44.03 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.604 HG13 ' CE1' ' A' ' 91' ' ' PHE . 8.8 p -74.77 146.71 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 1.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.442 ' OE2' ' NE2' ' A' ' 144' ' ' GLN . 0.8 OUTLIER -101.56 160.1 14.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.0 110.255 -179.915 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 81.8 p -71.89 97.24 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 114.68 -5.47 22.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 1.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.442 ' NE2' ' OE2' ' A' ' 141' ' ' GLU . 0.0 OUTLIER -78.35 151.0 77.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 1.0 110.327 179.898 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.09 157.96 42.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 1.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.799 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.0 m -138.73 158.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.718 ' HA ' HG13 ' A' ' 88' ' ' VAL . 31.8 mt-10 -125.99 160.37 30.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 1.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.769 ' H ' HG22 ' A' ' 88' ' ' VAL . 25.7 t80 -65.71 130.19 42.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 1.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.9 t70 82.91 -5.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -81.57 144.9 53.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.0 110.305 -179.96 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.543 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.92 155.4 43.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.47 1.774 . . . . 1.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.718 HD11 ' CA ' ' A' ' 85' ' ' SER . 26.2 mt -127.88 -77.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.767 HG22 HG23 ' A' ' 138' ' ' ILE . 10.5 t -118.83 143.4 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 1.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 1.079 HG13 ' CD1' ' A' ' 82' ' ' ILE . 44.0 t -101.49 121.19 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.861 ' CD1' HD21 ' A' ' 115' ' ' LEU . 3.4 mt -112.82 163.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.409 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 1.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.1 mmm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.47 0.176 . . . . 1.0 110.993 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -175.28 149.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.29 91.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 115.3 4.25 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 1.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.42 159.02 15.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 1.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.32 158.04 16.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 1.0 109.342 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -174.18 72.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -177.57 111.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 1.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.521 ' HA ' HD13 ' A' ' 78' ' ' ILE . 6.3 mm 63.74 153.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 109.357 -179.911 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 p 63.78 44.24 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 1.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.95 116.89 2.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.414 1.072 . . . . 1.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 106.68 14.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 1.0 109.55 -179.917 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 mp -94.06 116.33 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.683 HG12 HD12 ' A' ' 152' ' ' LEU . 72.7 t -81.67 116.9 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -104.71 122.67 46.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 1.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.86 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -38.67 99.26 0.19 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.01 0.26 9.12 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.535 1.808 . . . . 1.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.5 tpp -158.71 111.44 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 1.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.798 HG13 ' HA ' ' A' ' 147' ' ' GLU . 11.5 t -53.6 138.86 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.25 -120.51 1.0 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.442 1.089 . . . . 1.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 91' ' ' PHE . 94.8 m -125.24 168.83 12.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 1.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.657 ' HB2' HG11 ' A' ' 146' ' ' VAL . 9.0 t80 -137.87 140.12 40.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 1.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.3 m-85 -135.33 146.86 48.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 1.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -95.08 -13.87 24.75 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.534 1.146 . . . . 1.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 101' ' ' ALA . 59.3 p -130.37 156.59 79.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 1.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -74.95 -48.18 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 1.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.52 179.08 1.25 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 110.013 179.977 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 149.94 37.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 71.72 6.5 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 1.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -104.29 136.43 43.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.263 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -51.86 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 1.0 109.226 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.908 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -97.87 132.61 43.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.827 ' CE1' HG21 ' A' ' 114' ' ' THR . 11.0 m-85 -49.03 -40.64 31.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.724 HD13 HG11 ' A' ' 109' ' ' VAL . 6.4 tp -128.34 92.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 1.0 109.262 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.29 112.31 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.244 -179.988 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.576 HG22 HD11 ' A' ' 138' ' ' ILE . 60.6 t -40.33 116.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.647 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 108.19 12.12 22.52 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 1.0 110.995 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -116.47 166.06 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 1.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.89 162.42 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.724 HG11 HD13 ' A' ' 103' ' ' ILE . 34.5 m -141.78 136.86 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.7 t-20 -117.01 149.21 40.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.31 109.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.75 -27.71 4.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.14 . . . . 1.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.18 138.78 38.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 0.768 . . . . 1.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.827 HG21 ' CE1' ' A' ' 102' ' ' PHE . 59.5 m -56.51 165.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 1.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 129' ' ' ALA . 0.2 OUTLIER -127.33 -43.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.566 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -178.64 -158.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 108.362 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.545 HG22 ' CE ' ' A' ' 124' ' ' MET . 4.6 mt -143.54 152.53 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.689 ' CG2' HD11 ' A' ' 127' ' ' ILE . 47.4 t -136.18 127.99 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.216 179.936 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.419 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.2 tt0 -88.39 128.61 35.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 1.0 110.294 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -171.04 167.24 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 4.2 ptm 42.64 45.01 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.6 51.84 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.59 155.47 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 1.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.545 ' CE ' HG22 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -89.29 131.83 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 1.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -124.83 108.77 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 1.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.605 ' CG ' HG23 ' A' ' 114' ' ' THR . 7.8 tt0 -77.18 150.27 35.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 1.0 110.268 -179.94 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.689 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.4 mt -109.49 117.23 54.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 1.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -94.19 124.57 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.887 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -41.89 137.19 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 1.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.6 16.27 7.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 1.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.479 ' NZ ' ' H ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -168.75 85.54 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 12.0 m -39.22 132.94 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 1.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.99 -173.3 39.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 1.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 94.4 m -116.6 155.27 29.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 1.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.647 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.3 p -47.91 160.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.8 ttpp -145.07 -47.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 1.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.0 133.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -104.97 118.2 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 109.315 -179.95 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.739 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -86.5 -44.36 12.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.648 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.1 p -81.49 151.78 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 1.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -107.94 174.17 6.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 1.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.429 ' N ' ' OE1' ' A' ' 141' ' ' GLU . 11.3 t -79.13 92.52 5.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 1.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.05 -21.71 6.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 1.0 110.983 179.925 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 150.2 84.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.514 0.773 . . . . 1.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -74.94 170.16 21.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.42 1.748 . . . . 1.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.657 HG11 ' HB2' ' A' ' 91' ' ' PHE . 35.8 m -148.93 158.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.798 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.7 mt-10 -139.47 160.93 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.76 ' H ' HG22 ' A' ' 88' ' ' VAL . 9.9 t80 -63.21 133.97 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 1.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.56 -6.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 1.0 109.266 179.973 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 0.6 OUTLIER -86.12 142.61 36.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.319 -179.95 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.726 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.7 Cg_endo -74.92 158.18 42.67 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.515 1.797 . . . . 1.0 111.069 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.86 HD11 ' HA ' ' A' ' 85' ' ' SER . 81.3 mt -125.09 -81.91 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.588 1.18 . . . . 1.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 138' ' ' ILE . 11.1 t -126.74 139.0 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.679 HG23 HD21 ' A' ' 139' ' ' LEU . 48.0 t -98.58 125.32 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.8 mp -115.7 163.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 26.5 tt0 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 1.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.537 0.208 . . . . 1.0 111.022 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -78.9 73.09 5.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.093 . . . . 1.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.15 92.06 4.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.63 1.206 . . . . 1.0 109.24 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 173.58 14.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.459 1.768 . . . . 1.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.68 172.28 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 1.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.3 -62.25 1.48 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.407 1.067 . . . . 1.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.56 62.11 1.01 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 1.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 60.12 120.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.0 tp -138.88 144.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 1.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.3 p -167.82 89.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 1.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.6 87.64 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 1.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.511 ' CG ' ' HD2' ' A' ' 131' ' ' LYS . 0.5 OUTLIER -111.79 162.96 14.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 1.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.431 HG13 HG13 ' A' ' 154' ' ' VAL . 4.0 mp -138.88 116.04 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.913 HG21 HD23 ' A' ' 115' ' ' LEU . 38.8 t -77.32 117.89 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.076 . . . . 1.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -107.96 127.0 53.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 1.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.845 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -42.53 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 1.0 109.978 -179.985 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 0.59 8.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.782 . . . . 1.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -168.38 126.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 1.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.848 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.7 t -58.18 139.06 18.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.14 -127.42 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 143' ' ' GLY . 88.8 m -126.37 162.91 24.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 1.0 110.391 -179.929 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.736 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -133.94 134.32 42.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 1.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 53.6 m-85 -127.68 151.59 48.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 1.0 111.082 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.422 ' CZ ' HG21 ' A' ' 138' ' ' ILE . 28.6 mmm-85 -99.35 -13.6 19.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 1.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.911 HG22 ' HA ' ' A' ' 101' ' ' ALA . 30.9 p -135.98 155.6 77.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 1.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -28.99 8.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.527 1.804 . . . . 1.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.4 178.7 1.35 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.992 -179.981 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.05 -40.11 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.455 1.766 . . . . 1.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.27 36.35 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -120.42 152.53 37.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 1.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -68.28 168.36 12.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.911 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -80.71 133.09 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.72 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 15.9 m-85 -53.41 -39.96 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 tt -129.36 119.83 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 28.8 tt0 -93.38 109.19 20.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 110.359 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.407 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.3 t -40.23 115.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.558 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 100.69 31.69 5.67 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.442 1.089 . . . . 1.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.84 165.63 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 0.72 . . . . 1.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 118.74 37.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.08 . . . . 1.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 132' ' ' SER . 30.7 m -114.98 137.05 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 1.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.407 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 4.7 p30 -118.52 146.79 44.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.68 HG23 ' HA ' ' A' ' 130' ' ' ASP . 2.6 p -40.23 109.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 1.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.44 -11.49 6.06 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.73 136.68 34.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 1.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.588 HG21 ' CE1' ' A' ' 102' ' ' PHE . 22.0 m -57.91 143.58 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.045 HD13 ' HB2' ' A' ' 129' ' ' ALA . 2.1 tp -112.02 -30.85 7.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.759 ' O ' HD13 ' A' ' 117' ' ' ILE . 23.8 p 177.91 -169.9 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 1.0 108.233 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 116' ' ' CYS . 24.8 mm -129.03 154.59 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 -179.931 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.83 ' CG2' HD11 ' A' ' 127' ' ' ILE . 41.5 t -134.18 127.28 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -101.58 135.53 42.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 1.0 110.351 179.941 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -130.43 -175.86 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.18 91.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 1.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 44.35 47.98 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.58 114.09 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 110.985 179.906 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.3 ttt -83.78 143.39 30.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 1.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 117' ' ' ILE . 8.1 m120 -138.93 155.05 48.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.617 ' CG ' HD12 ' A' ' 117' ' ' ILE . 0.3 OUTLIER -122.76 144.66 49.03 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.489 1.118 . . . . 1.0 110.296 -179.944 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.83 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.4 mt -104.42 116.84 48.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 1.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -101.1 113.23 26.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 1.045 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.42 132.87 1.99 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.68 ' HA ' HG23 ' A' ' 111' ' ' VAL . 33.3 t70 -114.83 13.62 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 1.0 109.275 -179.934 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.511 ' HD2' ' CG ' ' A' ' 81' ' ' HIS . 8.0 pttm -165.65 97.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 2.0 m -39.06 154.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 1.0 110.008 179.919 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.8 -172.91 41.04 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 1.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.754 ' O ' HG12 ' A' ' 135' ' ' VAL . 4.0 m -135.36 58.69 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 1.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 134' ' ' THR . 6.8 p 50.56 177.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.47 1.106 . . . . 1.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.688 ' H ' HG22 ' A' ' 135' ' ' VAL . 4.9 tttt -166.0 -50.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.08 132.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 1.018 HG23 HG22 ' A' ' 153' ' ' VAL . 1.3 mm -98.28 135.02 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -105.16 -44.54 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 1.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.653 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.5 p -80.64 148.94 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.6 164.14 12.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 1.0 110.339 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.26 103.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.037 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.99 -29.52 7.68 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 1.0 110.993 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 8.6 tt0 -52.32 140.7 33.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 1.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.4 Cg_endo -74.93 160.48 40.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 1.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.736 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.1 m -139.9 159.49 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.371 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.678 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.1 tt0 -131.53 161.63 32.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.848 ' H ' HG22 ' A' ' 88' ' ' VAL . 21.9 t80 -64.52 130.94 45.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 1.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.2 t70 83.97 0.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 1.0 109.348 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.474 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 10.8 mm-40 -90.0 149.93 42.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 1.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.64 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.1 Cg_endo -74.99 158.67 42.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.56 1.821 . . . . 1.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.845 HD11 ' HA ' ' A' ' 85' ' ' SER . 98.3 mt -131.64 -81.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 1.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 1.018 HG22 HG23 ' A' ' 138' ' ' ILE . 79.3 t -124.69 151.43 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.448 HG12 ' CD ' ' A' ' 136' ' ' LYS . 40.6 t -114.94 124.32 71.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 156' ' ' GLU . 5.2 mp -116.15 167.1 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 1.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.53 ' N ' HG22 ' A' ' 155' ' ' ILE . 6.7 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 110.367 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.47 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 1.5 mtp . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.397 0.141 . . . . 1.0 111.069 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -98.05 -78.45 0.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 1.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.857 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -60.58 -54.64 52.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.857 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.95 85.42 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.445 1.76 . . . . 1.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.9 96.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 1.0 109.252 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.55 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -60.82 -61.1 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 1.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . 74.49 -62.06 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 1.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 60.34 168.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 1.0 110.362 -179.89 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mt -64.16 -69.07 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 1.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.36 -48.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.51 142.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 1.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.752 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.73 110.08 9.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 1.0 109.651 179.932 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.969 ' CD1' HG13 ' A' ' 154' ' ' VAL . 7.7 mm -96.18 123.41 48.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 1.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.781 HG21 HD23 ' A' ' 115' ' ' LEU . 47.8 t -85.93 116.4 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 1.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 20.9 mtt180 -118.18 123.66 46.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 1.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.46 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -51.86 107.25 0.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.7 8.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 1.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.5 tpp -163.56 125.02 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.759 HG22 ' HA ' ' A' ' 147' ' ' GLU . 17.7 t -46.85 150.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 1.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.543 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 161.06 -134.51 3.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 143' ' ' GLY . 52.5 m -138.66 126.0 21.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 1.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.659 ' CD2' HG11 ' A' ' 140' ' ' VAL . 6.0 t80 -89.26 135.0 33.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 1.0 111.056 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.527 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 42.2 m-85 -133.37 142.62 48.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 103' ' ' ILE . 10.3 mmm180 -91.0 -16.03 28.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.918 HG22 ' HA ' ' A' ' 101' ' ' ALA . 63.4 p -129.75 156.36 78.98 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.533 1.146 . . . . 1.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.97 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 1.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.59 179.09 1.25 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 1.0 109.995 -179.952 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.99 150.93 38.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.476 1.777 . . . . 1.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 t0 70.49 7.61 6.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 1.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -105.27 136.74 44.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 1.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -51.87 -176.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.918 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -98.58 132.47 43.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 1.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.883 ' CE1' HG21 ' A' ' 114' ' ' THR . 6.1 m-85 -47.79 -42.78 26.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 1.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 115' ' ' LEU . 4.8 pt -131.92 120.97 45.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 1.0 109.377 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -99.27 118.0 34.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.639 HG22 HD11 ' A' ' 138' ' ' ILE . 61.9 t -40.29 116.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.634 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 112.04 15.89 9.56 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.52 1.137 . . . . 1.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -121.89 159.92 25.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 1.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.45 163.37 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.648 HG21 HD11 ' A' ' 115' ' ' LEU . 21.9 m -141.83 131.29 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -117.22 150.04 39.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 1.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.6 t -40.59 111.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.38 16.96 6.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.442 1.089 . . . . 1.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.12 133.65 55.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.883 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.8 m -63.36 141.74 58.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 1.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.01 HD21 ' CD1' ' A' ' 155' ' ' ILE . 1.5 tp -113.69 -31.53 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 1.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.605 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 30.8 p -178.99 -164.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 1.0 108.324 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.49 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.6 mt -137.94 153.22 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 1.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.54 117.33 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 1.0 109.244 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -99.02 131.31 45.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 1.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.458 ' O ' ' CG ' ' A' ' 123' ' ' MET . . . -163.98 160.61 22.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 52.89 19.36 1.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 1.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.23 42.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 1.0 109.238 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -156.86 150.78 24.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ptp -91.49 141.46 28.71 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 1.108 . . . . 1.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -139.48 99.74 3.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 1.0 109.307 -179.96 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.777 ' CG ' HG23 ' A' ' 114' ' ' THR . 21.1 tt0 -63.56 146.46 53.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 1.0 110.226 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.6 mm -108.74 115.89 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 1.0 109.237 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -91.25 132.07 36.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 1.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -42.01 133.17 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 1.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -117.63 15.89 14.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 81' ' ' HIS . 11.1 tmtt? -174.71 85.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 42.9 t -39.39 137.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 179.29 -173.31 45.34 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.0 m -113.8 148.88 35.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 0.731 . . . . 1.0 110.44 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.634 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.4 p -40.52 157.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.572 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -142.58 -47.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 1.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.98 133.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.839 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -100.35 121.38 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 1.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 1.035 HD21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -90.93 -44.25 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.25 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.659 HG11 ' CD2' ' A' ' 91' ' ' PHE . 12.0 p -74.79 152.8 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 1.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -115.44 130.35 56.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 1.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.8 t -38.99 96.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 1.0 110.108 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 90' ' ' THR . . . 129.99 -40.86 1.61 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.47 1.107 . . . . 1.0 111.034 -179.897 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 141' ' ' GLU . 76.2 mt-30 -47.37 148.1 2.46 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.466 0.745 . . . . 1.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -74.99 174.73 12.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.497 1.788 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.756 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.3 m -139.75 158.74 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 1.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.759 ' HA ' HG22 ' A' ' 88' ' ' VAL . 2.6 tt0 -136.98 172.38 13.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 1.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 27.3 t80 -69.62 113.91 7.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 1.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.1 t70 82.94 9.66 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -78.42 148.9 74.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 1.0 110.2 -179.91 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.729 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.95 154.27 42.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 1.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 91' ' ' PHE . 96.6 mt -134.21 -81.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 1.0 109.391 179.955 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.839 HG22 HG23 ' A' ' 138' ' ' ILE . 11.3 t -129.19 152.6 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 1.0 109.378 179.91 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 1.035 HG23 HD21 ' A' ' 139' ' ' LEU . 57.6 t -111.02 132.89 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 1.01 ' CD1' HD21 ' A' ' 115' ' ' LEU . 5.2 mt -124.67 164.1 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.5 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.449 0.166 . . . . 1.0 110.985 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.45 -32.4 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 1.0 110.248 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.54 ' HB1' ' HD2' ' A' ' 73' ' ' PRO . . . 59.67 166.0 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 1.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.54 ' HD2' ' HB1' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.99 -40.01 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.772 . . . . 1.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 73' ' ' PRO . . . 71.47 -62.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.35 69.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.88 -61.67 1.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.552 1.157 . . . . 1.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.94 94.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 1.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.428 ' O ' ' CB ' ' A' ' 79' ' ' SER . 8.2 mm -56.6 156.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 1.0 109.299 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 3.9 t 80.01 55.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 110.047 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.48 101.84 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.133 . . . . 1.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.78 109.34 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 1.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.531 HG13 HG13 ' A' ' 154' ' ' VAL . 2.0 mt -89.67 133.24 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.6 t -91.6 141.44 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 1.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -120.95 123.74 43.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 1.0 110.29 -179.929 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.725 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -41.72 101.47 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 1.0 110.011 -179.961 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 0.34 9.03 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.427 1.751 . . . . 1.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.778 ' CG ' HG11 ' A' ' 118' ' ' VAL . 11.1 ptm -156.5 126.75 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 1.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 148' ' ' PHE . 22.0 t -68.41 138.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.88 -122.94 1.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.559 1.162 . . . . 1.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 91' ' ' PHE . 52.9 m -126.3 168.78 13.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 0.815 . . . . 1.0 110.438 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.719 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.3 t80 -136.74 141.26 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 1.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.556 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.8 m-85 -136.28 150.9 49.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 1.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.548 ' NH1' ' CG2' ' A' ' 103' ' ' ILE . 12.4 mmm180 -98.35 -13.73 20.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 1.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.855 HG22 ' HA ' ' A' ' 101' ' ' ALA . 23.6 p -136.3 155.69 77.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 1.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.418 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.5 Cg_endo -74.98 -51.98 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.761 . . . . 1.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.52 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -137.01 178.76 1.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 110.052 -179.986 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 151.14 39.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 1.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 65.04 12.27 7.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 1.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -101.94 145.87 28.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 1.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 168.68 1.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.855 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.81 133.12 37.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 1.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.796 ' CD1' HG21 ' A' ' 114' ' ' THR . 29.1 m-85 -54.96 -37.94 67.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.548 ' CG2' ' NH1' ' A' ' 93' ' ' ARG . 19.9 tt -130.18 101.82 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -90.17 115.51 27.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 1.0 110.367 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.684 HG22 HD11 ' A' ' 138' ' ' ILE . 89.6 t -40.69 116.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 1.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.727 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.61 22.28 8.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 1.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.78 157.93 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 1.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -106.24 153.47 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 132' ' ' SER . 34.6 m -133.17 134.52 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.478 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 15.4 p30 -117.75 151.0 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.07 109.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.17 -31.69 3.98 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.538 1.149 . . . . 1.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 129' ' ' ALA . 0.5 OUTLIER -74.77 137.37 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 1.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.796 HG21 ' CD1' ' A' ' 102' ' ' PHE . 89.8 m -54.95 175.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 110.395 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' ' 129' ' ' ALA . 2.6 tp -136.76 -46.42 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -177.96 -157.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 108.28 179.93 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.598 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -141.34 155.49 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.778 HG11 ' CG ' ' A' ' 87' ' ' MET . 6.8 t -141.2 130.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.2 tt0 -88.5 134.63 33.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -176.2 169.45 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.602 1.189 . . . . 1.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.493 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 17.7 ptp 42.52 46.29 4.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 1.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.3 tttp 41.36 51.78 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 1.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.0 156.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -77.52 143.2 38.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 1.0 111.022 179.904 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -135.5 99.45 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.358 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -67.52 154.7 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.7 mm -117.83 115.82 49.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.367 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.98 139.48 31.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 1.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.635 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -58.22 133.16 55.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -122.88 16.22 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 1.0 109.237 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.68 91.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.555 1.159 . . . . 1.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.478 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 79.3 p -39.19 134.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 1.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.42 -172.79 33.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.44 1.088 . . . . 1.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 27.6 m -127.78 146.97 50.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 1.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.727 HG11 ' H ' ' A' ' 106' ' ' GLY . 11.7 p -42.0 161.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.605 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -151.73 -46.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.9 132.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.812 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -104.47 130.4 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.652 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -99.67 -46.06 5.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 1.0 109.284 -179.925 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.628 HG13 ' CE1' ' A' ' 91' ' ' PHE . 13.9 p -80.73 138.11 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 1.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.465 ' HG2' ' CG ' ' A' ' 144' ' ' GLN . 10.0 pt-20 -99.03 178.38 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 110.219 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.5 p -78.08 93.5 4.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 1.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.556 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.17 -31.52 3.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 1.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.465 ' CG ' ' HG2' ' A' ' 141' ' ' GLU . 0.6 OUTLIER -52.93 148.76 13.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 1.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.0 Cg_endo -75.08 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 1.0 110.974 -179.888 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.719 HG11 ' HB2' ' A' ' 91' ' ' PHE . 20.8 m -151.63 157.98 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 1.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.524 ' CD ' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -148.62 156.37 42.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 1.0 110.319 179.917 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.794 ' H ' HG22 ' A' ' 88' ' ' VAL . 11.3 t80 -59.85 137.64 58.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.45 -5.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.226 179.962 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.458 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 40.1 mm-40 -90.2 146.03 34.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 1.0 110.29 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.652 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.04 156.7 42.82 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 1.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.725 HD11 ' HA ' ' A' ' 85' ' ' SER . 26.2 mt -123.04 -81.75 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.812 HG22 HG23 ' A' ' 138' ' ' ILE . 48.4 t -124.44 137.72 56.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 1.0 109.296 -179.929 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.605 HG12 ' HB3' ' A' ' 136' ' ' LYS . 57.4 t -95.0 116.48 36.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 1.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 11.2 mm -107.43 163.69 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.371 179.924 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.493 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.8 tt0 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.191 . . . . 1.0 110.322 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.505 0.193 . . . . 1.0 111.024 . . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' CG ' ' HD2' ' A' ' 73' ' ' PRO . 2.4 pm0 44.04 -169.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.341 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.875 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -78.8 -56.25 0.91 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 1.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.93 126.68 10.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.433 1.754 . . . . 1.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.07 115.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 1.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.27 176.02 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 1.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -171.1 126.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 1.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -172.99 103.85 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.368 1.042 . . . . 1.0 110.354 -179.995 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.57 HG23 ' H ' ' A' ' 79' ' ' SER . 4.4 tp -141.25 -60.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.57 ' H ' HG23 ' A' ' 78' ' ' ILE . 7.7 m -39.37 104.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 1.0 110.05 179.959 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.91 82.67 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 1.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.48 ' N ' ' ND1' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -106.11 98.22 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 1.0 109.567 -179.931 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.953 HG13 HG13 ' A' ' 154' ' ' VAL . 2.8 mp -85.86 116.05 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -87.8 122.89 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 1.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' SER . 49.5 mtt180 -98.43 132.2 44.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 1.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.67 ' HA ' HD11 ' A' ' 152' ' ' LEU . 8.8 p -38.45 103.32 0.27 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 1.0 110.036 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.27 9.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 1.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 131.18 6.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.579 1.174 . . . . 1.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.905 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.6 t -71.16 139.33 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.72 -117.51 0.82 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 1.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.465 ' O ' HG13 ' A' ' 118' ' ' VAL . 73.7 m -129.18 167.82 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 1.0 110.404 -179.932 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.715 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.9 t80 -137.56 137.99 39.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -129.46 155.95 44.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 1.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' HD3' HG21 ' A' ' 138' ' ' ILE . 18.8 mmm180 -103.25 -13.59 16.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.802 HG22 ' HA ' ' A' ' 101' ' ' ALA . 29.0 p -126.82 155.56 75.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 1.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.471 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 18.2 Cg_endo -74.97 -33.2 4.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.557 1.82 . . . . 1.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.87 172.34 7.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 109.985 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.72 14.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.468 1.773 . . . . 1.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -121.65 63.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 1.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -153.12 146.95 25.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 1.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.97 167.94 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 1.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.802 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -69.75 132.39 46.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.864 ' CE1' HG21 ' A' ' 114' ' ' THR . 3.1 m-85 -40.4 -45.46 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 1.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.712 HD11 ' O ' ' A' ' 114' ' ' THR . 1.2 mp -130.19 163.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 1.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.503 ' N ' ' CG2' ' A' ' 103' ' ' ILE . 20.6 pt-20 -123.85 115.21 20.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.604 1.19 . . . . 1.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.653 ' CG2' HD11 ' A' ' 138' ' ' ILE . 62.9 t -40.24 115.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 1.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.559 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.53 25.55 5.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.551 1.157 . . . . 1.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.53 164.02 15.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 0.753 . . . . 1.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.593 ' HG3' HG22 ' A' ' 134' ' ' THR . 1.9 mptp? -101.73 114.79 29.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 1.0 109.232 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 132' ' ' SER . 18.9 m -107.7 136.91 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -129.63 152.47 49.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.2 t -40.36 109.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 1.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.04 -23.83 4.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.088 . . . . 1.0 111.02 -179.941 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.91 136.98 32.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 0.803 . . . . 1.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.864 HG21 ' CE1' ' A' ' 102' ' ' PHE . 92.2 m -59.2 174.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.509 ' H ' HG22 ' A' ' 114' ' ' THR . 3.5 tp -136.14 -46.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.627 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p -178.5 -173.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 108.301 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 95' ' ' PRO . 3.3 mt -125.51 161.57 29.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 1.0 109.227 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 90' ' ' THR . 40.2 t -144.33 124.6 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 1.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.406 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 2.6 tt0 -82.08 126.87 32.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -173.1 170.83 4.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 1.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 22.9 ptm 42.45 46.15 4.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? 40.84 51.75 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 1.0 109.292 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -176.02 161.0 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 1.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.03 127.81 36.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -115.79 124.86 51.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -88.53 145.58 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 1.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.422 HD11 HG21 ' A' ' 118' ' ' VAL . 3.8 mt -114.58 115.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.25 138.86 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.88 133.14 5.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -113.14 14.65 19.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 1.0 109.253 -179.923 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.34 105.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.353 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 45.6 t -39.29 154.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 1.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -177.34 -172.58 42.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.748 ' O ' HG12 ' A' ' 135' ' ' VAL . 1.8 p -134.07 55.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 1.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.748 HG12 ' O ' ' A' ' 134' ' ' THR . 5.8 p 50.49 179.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.72 ' H ' HG22 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -163.41 -49.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.86 133.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.895 HG23 HG22 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -97.38 132.99 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 1.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.24 -43.93 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 1.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.597 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.9 p -68.86 156.17 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.629 1.206 . . . . 1.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.407 ' HB2' ' NE2' ' A' ' 144' ' ' GLN . 2.3 mt-10 -110.49 155.84 21.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 1.0 110.231 -179.945 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.9 p -70.44 93.64 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 1.0 109.986 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 90' ' ' THR . . . 122.44 -22.84 7.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 1.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.462 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -62.27 151.64 81.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.749 . . . . 1.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -75.04 163.57 35.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 1.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 91' ' ' PHE . 18.8 m -143.1 157.34 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 1.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.585 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.1 tt0 -139.92 138.85 35.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 1.0 110.291 -179.919 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.905 ' H ' HG22 ' A' ' 88' ' ' VAL . 2.6 t80 -50.53 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 1.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 1.1 p30 150.65 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 1.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.442 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 9.0 mm-40 -64.39 141.42 98.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.05 41.36 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.49 1.784 . . . . 1.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.67 HD11 ' HA ' ' A' ' 85' ' ' SER . 94.9 mt -105.3 -78.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.895 HG22 HG23 ' A' ' 138' ' ' ILE . 3.5 t -130.44 139.81 50.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.953 HG13 HG13 ' A' ' 82' ' ' ILE . 6.3 t -96.94 127.14 49.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.472 ' CG2' ' HA3' ' A' ' 133' ' ' GLY . 4.5 mp -110.25 163.4 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.439 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 1.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.788 ' N ' ' HG ' ' A' ' 132' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.577 0.227 . . . . 1.0 110.997 . . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -116.6 -35.94 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.65 154.54 84.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -46.36 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 1.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -134.44 88.13 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 1.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.497 ' HB2' ' CE ' ' A' ' 70' ' ' MET . . . -53.99 -61.33 2.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 1.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -169.0 -61.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 1.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -153.36 73.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 1.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.656 HD12 ' N ' ' A' ' 79' ' ' SER . 2.3 pp -67.01 -171.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 109.401 179.921 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.656 ' N ' HD12 ' A' ' 78' ' ' ILE . 1.5 m 64.74 60.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 110.033 -179.917 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.88 105.35 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.547 1.154 . . . . 1.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.481 ' CB ' ' NZ ' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -108.36 169.41 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.776 . . . . 1.0 109.626 179.977 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.829 ' CD1' HG13 ' A' ' 154' ' ' VAL . 18.3 mm -140.91 115.92 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 1.0 109.373 179.912 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG12 HD12 ' A' ' 152' ' ' LEU . 63.5 t -79.23 116.43 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 1.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 7.2 mtp85 -113.72 121.86 45.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.43 ' OG ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -52.7 107.67 0.9 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.383 1.052 . . . . 1.0 109.945 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.55 8.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 1.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.16 128.25 9.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 1.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.646 HG22 ' H ' ' A' ' 148' ' ' PHE . 43.6 t -60.07 151.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.481 ' C ' HG22 ' A' ' 146' ' ' VAL . . . 153.35 -113.7 0.59 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.514 1.134 . . . . 1.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 144' ' ' GLN . 24.2 m -146.81 162.6 38.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 1.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.613 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.4 t80 -126.99 138.12 53.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 1.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 47.9 m-85 -134.32 148.18 50.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 1.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 142' ' ' SER . 11.6 mmm-85 -94.81 -17.48 22.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 1.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.979 HG22 ' HA ' ' A' ' 101' ' ' ALA . 45.8 p -136.44 155.51 77.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 1.0 110.33 -179.921 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.4 Cg_endo -74.97 -10.89 21.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.599 1.841 . . . . 1.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -163.84 173.96 3.72 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 1.0 109.949 -179.995 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 -35.07 3.37 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.423 1.749 . . . . 1.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.92 34.04 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -119.04 152.79 35.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 1.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -54.51 179.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 1.0 109.226 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.979 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -108.44 134.9 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.993 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 41.3 m-85 -65.52 -35.83 82.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 1.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 103' ' ' ILE . 18.8 tt -140.07 104.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 1.0 109.372 179.927 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.618 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 1.8 mt-10 -94.82 117.55 30.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 1.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.27 116.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.683 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.52 21.7 7.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.102 . . . . 1.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.07 160.24 33.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 1.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 160.33 15.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.7 m -138.99 144.58 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 5.2 m120 -117.6 145.09 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 1.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.684 HG23 ' H ' ' A' ' 132' ' ' SER . 3.2 t -40.05 108.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 1.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.03 -11.24 10.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 1.0 111.06 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.39 138.55 31.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 1.0 109.363 179.924 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.844 HG21 ' CD1' ' A' ' 102' ' ' PHE . 62.0 m -61.81 142.77 57.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 110.34 -179.917 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.027 HD21 HG22 ' A' ' 127' ' ' ILE . 1.7 pp -112.52 -32.88 6.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 1.0 109.226 -179.934 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.858 ' O ' HD13 ' A' ' 117' ' ' ILE . 14.7 p -178.88 -157.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 1.0 108.289 -179.954 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.993 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mm -137.9 160.41 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 1.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.489 ' CG2' HD11 ' A' ' 127' ' ' ILE . 58.4 t -143.04 116.9 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -86.35 126.16 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -165.75 162.42 18.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 1.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 48.23 34.6 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.96 47.02 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.6 mtt -164.8 153.03 12.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.5 ttm -78.96 128.23 33.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -122.29 94.55 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.649 ' CG ' HD12 ' A' ' 117' ' ' ILE . 1.6 mt-30 -65.34 147.54 53.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 1.027 HG22 HD21 ' A' ' 115' ' ' LEU . 5.0 mm -109.49 116.17 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.65 125.84 41.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.063 . . . . 1.0 110.278 -179.928 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.521 ' N ' HD23 ' A' ' 115' ' ' LEU . . . -51.63 133.07 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 1.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -115.65 14.47 16.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 1.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.481 ' NZ ' ' CB ' ' A' ' 81' ' ' HIS . 9.2 pttp -163.19 87.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.788 ' HG ' ' N ' ' A' ' 70' ' ' MET . 7.8 m -39.3 134.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 1.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.18 -173.27 40.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 1.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 t -119.23 149.3 41.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 0.726 . . . . 1.0 110.472 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.683 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.5 p -40.31 157.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -142.66 -47.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.26 132.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 109.264 179.95 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.903 HG23 HG22 ' A' ' 153' ' ' VAL . 1.8 mt -103.02 134.84 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 1.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -107.07 -46.12 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 1.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.0 p -67.65 149.0 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 1.0 109.372 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 142' ' ' SER . 5.6 tt0 -113.36 121.09 43.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 1.0 110.347 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.467 ' HB3' ' CG ' ' A' ' 93' ' ' ARG . 15.8 p -39.28 101.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 1.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.43 -35.68 2.75 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.472 1.107 . . . . 1.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 90' ' ' THR . 1.4 mp0 -58.63 151.53 51.35 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.545 0.791 . . . . 1.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.0 162.9 36.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 1.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.613 HG11 ' HB2' ' A' ' 91' ' ' PHE . 6.2 m -128.26 156.97 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 179.929 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.516 ' HA ' HG22 ' A' ' 88' ' ' VAL . 3.9 tt0 -134.78 157.59 46.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.646 ' H ' HG22 ' A' ' 88' ' ' VAL . 27.4 t80 -62.92 124.35 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 1.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.1 t70 81.5 13.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 4.3 tt0 -95.47 142.1 24.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -75.07 161.29 38.81 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.476 1.777 . . . . 1.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.483 HD12 HG12 ' A' ' 83' ' ' VAL . 71.5 mt -132.61 -81.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.285 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.903 HG22 HG23 ' A' ' 138' ' ' ILE . 9.6 t -122.6 147.57 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.829 HG13 ' CD1' ' A' ' 82' ' ' ILE . 61.9 t -104.19 130.22 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 1.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.1 mp -114.56 163.85 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 1.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.9 ttm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.491 0.186 . . . . 1.0 111.026 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.36 -65.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 1.0 110.345 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 41.47 67.24 3.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.56 42.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 1.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.92 -179.52 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -140.2 58.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . 69.8 -63.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.78 171.76 7.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 1.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.594 HD11 ' C ' ' A' ' 156' ' ' GLU . 3.9 tp -127.91 -48.8 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.8 m 45.87 74.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 1.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.435 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -42.42 165.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.145 . . . . 1.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.618 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 4.5 m-70 -116.0 176.19 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 1.0 109.583 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.94 ' CD1' HG13 ' A' ' 154' ' ' VAL . 18.6 mm -142.09 115.76 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 1.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.68 HG21 HD23 ' A' ' 115' ' ' LEU . 58.3 t -86.32 116.33 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.137 . . . . 1.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -116.75 127.33 54.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 1.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.43 105.0 0.44 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 1.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.64 118.05 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 1.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.799 HG22 ' H ' ' A' ' 148' ' ' PHE . 15.7 t -52.88 138.54 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 1.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.67 -118.97 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 1.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.479 ' O ' HG13 ' A' ' 118' ' ' VAL . 95.8 m -134.33 164.36 27.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 1.0 110.426 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.807 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -136.08 135.17 39.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.476 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 48.9 m-85 -125.41 155.23 40.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 1.0 111.015 179.927 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 5.8 mmm180 -102.88 -14.76 16.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 1.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.999 HG22 ' HA ' ' A' ' 101' ' ' ALA . 64.3 p -134.78 155.89 79.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 1.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.88 18.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 1.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -153.91 178.38 1.63 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.977 179.99 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.03 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.474 1.776 . . . . 1.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.23 23.7 4.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 1.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.46 160.06 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 109.336 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 165.41 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.999 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -81.62 134.88 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 1.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.993 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 14.8 m-85 -55.98 -40.13 72.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 1.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.57 HG21 ' HA ' ' A' ' 115' ' ' LEU . 1.5 pp -135.6 115.55 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -90.75 114.58 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 1.0 110.235 -179.953 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.412 HG22 HD11 ' A' ' 138' ' ' ILE . 54.8 t -40.09 116.13 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.624 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.43 15.39 12.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.383 1.052 . . . . 1.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -115.57 162.0 17.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 1.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.545 ' O ' ' NE2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -102.01 150.78 22.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 1.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 133' ' ' GLY . 27.7 m -130.1 134.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 1.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.6 t-20 -117.8 146.55 43.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 109.359 -179.959 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.42 -13.13 8.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 1.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.28 137.24 32.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 0.793 . . . . 1.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.483 HG21 ' CE1' ' A' ' 102' ' ' PHE . 9.2 m -66.37 144.9 56.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 1.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.68 HD23 HG21 ' A' ' 83' ' ' VAL . 1.4 tp -111.42 -30.28 7.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.06 . . . . 1.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.729 ' O ' HD13 ' A' ' 117' ' ' ILE . 1.3 p 172.49 -173.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 1.0 108.279 -179.962 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.993 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 7.0 mm -123.44 159.66 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 1.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 90' ' ' THR . 39.0 t -145.6 120.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -81.32 127.28 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.512 ' HB3' ' ND2' ' A' ' 125' ' ' ASN . . . -175.46 173.29 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 1.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.3 ptp 42.43 46.0 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 1.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.66 51.88 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 1.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.95 163.95 1.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.172 . . . . 1.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.465 ' CG ' ' O ' ' A' ' 124' ' ' MET . 2.2 ptt? -84.54 122.15 28.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 1.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' A' ' 120' ' ' ALA . 23.1 m-80 -107.92 102.37 11.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.57 ' HG3' HD12 ' A' ' 117' ' ' ILE . 3.1 mp0 -76.33 137.66 39.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 1.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.0 mm -100.5 116.99 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.302 -179.933 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -104.08 127.87 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.393 1.058 . . . . 1.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.71 133.13 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 1.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.59 18.37 18.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.618 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -178.81 95.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 1.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 3.3 m -39.4 141.62 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 1.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.42 ' O ' HG22 ' A' ' 109' ' ' VAL . . . -174.9 -173.1 40.45 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.466 1.104 . . . . 1.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 60.9 p -118.1 144.47 45.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 1.0 110.364 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.624 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.0 p -40.84 159.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 1.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -141.9 -49.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.2 137.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 1.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.911 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -99.53 119.23 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 1.025 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -88.23 -43.84 11.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 1.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.648 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.4 p -80.12 166.71 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.2 OUTLIER -118.87 171.26 8.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 1.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -80.34 100.8 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 110.007 179.962 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.476 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 115.63 -32.75 5.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 1.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.21 150.44 5.96 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.488 0.758 . . . . 1.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 165.06 32.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 1.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.807 HG11 ' HB2' ' A' ' 91' ' ' PHE . 33.7 m -142.5 158.13 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.674 ' HA ' HG13 ' A' ' 88' ' ' VAL . 9.0 mt-10 -133.61 165.78 24.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.799 ' H ' HG22 ' A' ' 88' ' ' VAL . 35.5 t80 -63.2 134.13 55.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 1.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.9 t70 75.07 3.5 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 1.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.2 tp10 -83.81 136.47 41.76 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.876 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.02 151.73 39.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.491 1.785 . . . . 1.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.771 HD13 ' HD2' ' A' ' 91' ' ' PHE . 49.8 mt -121.68 -76.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.911 HG22 HG23 ' A' ' 138' ' ' ILE . 7.3 t -125.41 155.27 34.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 1.025 HG23 HD21 ' A' ' 139' ' ' LEU . 47.9 t -114.06 127.71 71.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.7 mp -112.34 163.82 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.594 ' C ' HD11 ' A' ' 78' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 1.0 110.344 -179.991 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.9 mtm . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.5 0.19 . . . . 1.0 111.012 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -40.79 -33.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 110.37 179.965 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 71' ' ' GLU . . . -115.07 91.57 27.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 55.98 4.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.523 1.801 . . . . 1.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.65 93.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.952 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.83 167.43 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 63.09 173.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 65.93 109.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 110.342 -179.988 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.0 mm 63.9 117.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.558 ' HB3' ' HZ3' ' A' ' 131' ' ' LYS . 20.3 m -134.1 64.84 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 1.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -57.97 -175.54 0.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 1.0 111.063 179.963 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -174.64 162.46 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 1.0 109.681 -179.956 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.949 HD12 HG22 ' A' ' 154' ' ' VAL . 47.7 mm -112.85 115.92 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.859 HG21 HD23 ' A' ' 115' ' ' LEU . 41.2 t -75.82 116.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 1.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 22.3 mtt-85 -115.63 127.46 55.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 1.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.411 ' CA ' HD11 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -55.1 108.79 1.27 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 110.0 -179.99 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 0.92 8.36 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.549 1.815 . . . . 1.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.37 127.53 6.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.647 HG22 ' HA ' ' A' ' 147' ' ' GLU . 23.2 t -56.32 150.75 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.506 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 154.58 -121.29 1.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 1.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 33.0 m -137.25 166.62 23.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 0.72 . . . . 1.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.582 ' CE2' HG11 ' A' ' 140' ' ' VAL . 3.5 t80 -134.93 138.35 43.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 1.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 64.7 m-85 -135.71 149.55 49.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.431 ' HD3' HG21 ' A' ' 138' ' ' ILE . 22.4 mmm-85 -97.13 -13.79 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.966 HG22 ' HA ' ' A' ' 101' ' ' ALA . 55.3 p -134.39 155.4 79.81 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 1.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -75.01 -26.94 10.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.436 1.756 . . . . 1.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.04 178.59 1.42 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 1.0 109.938 -179.957 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.94 -47.95 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.396 1.735 . . . . 1.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -99.4 40.66 1.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 1.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -120.51 150.9 40.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 1.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -57.93 171.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 1.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.966 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -95.11 134.56 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.702 ' CE1' HG21 ' A' ' 114' ' ' THR . 16.5 m-85 -56.75 -39.75 74.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.453 1.095 . . . . 1.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.834 HD11 HG11 ' A' ' 109' ' ' VAL . 6.2 mt -136.59 108.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 109.24 -179.945 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' VAL . 7.4 mt-10 -89.42 115.57 26.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 138' ' ' ILE . 55.3 t -39.59 115.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 1.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.53 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.65 16.16 8.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.575 1.172 . . . . 1.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -121.64 171.12 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 1.0 110.279 -179.946 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -113.53 159.69 19.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 1.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 103' ' ' ILE . 26.8 m -139.42 150.6 22.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.447 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 7.2 p30 -126.63 145.88 50.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 1.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 1.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.32 -22.29 7.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 1.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 133.68 36.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.788 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.704 HG23 ' HG3' ' A' ' 126' ' ' GLN . 31.4 m -56.63 142.95 37.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 1.0 110.431 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.977 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.1 tp -112.52 -31.62 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 1.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.528 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.2 p 175.36 -172.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 1.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.434 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.2 mt -121.09 158.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.471 HG23 HG13 ' A' ' 127' ' ' ILE . 43.2 t -139.14 121.51 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 1.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 2.9 tt0 -85.07 128.13 34.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -169.01 166.22 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.504 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.6 ptp 42.72 44.03 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.81 51.83 6.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 1.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.13 153.67 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.63 138.76 41.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 1.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -132.58 96.87 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.704 ' HG3' HG23 ' A' ' 114' ' ' THR . 29.0 tt0 -63.85 152.38 39.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 1.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.471 HG13 HG23 ' A' ' 118' ' ' VAL . 3.7 mm -116.67 115.83 50.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 1.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.07 125.63 36.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 1.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.977 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -52.94 133.0 38.22 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.544 1.153 . . . . 1.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.531 ' HA ' HG23 ' A' ' 111' ' ' VAL . 8.5 t70 -120.95 24.94 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.558 ' HZ3' ' HB3' ' A' ' 79' ' ' SER . 5.3 tttm -169.08 83.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.447 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 53.5 p -39.3 144.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 109.962 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.495 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 170.8 -177.9 43.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 1.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 135' ' ' VAL . 88.3 m -107.55 174.91 5.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 0.724 . . . . 1.0 110.451 179.991 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.53 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.5 p -70.16 140.1 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.722 ' HB3' HG12 ' A' ' 154' ' ' VAL . 4.4 tttt -121.99 -42.84 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 1.0 109.217 -179.928 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.63 136.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.931 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.03 132.55 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -101.78 -46.16 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.582 HG11 ' CE2' ' A' ' 91' ' ' PHE . 14.5 p -70.29 152.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 143' ' ' GLY . 32.6 tt0 -114.93 137.88 51.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 t -48.24 95.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 1.0 109.984 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.529 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.8 -32.0 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.581 1.175 . . . . 1.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.439 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -53.27 150.24 11.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 1.0 110.303 -179.947 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.1 Cg_endo -75.1 168.46 24.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 1.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 88' ' ' VAL . 1.5 m -134.29 160.18 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.647 ' HA ' HG22 ' A' ' 88' ' ' VAL . 14.6 mt-10 -144.4 160.34 41.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 1.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.574 ' H ' HG22 ' A' ' 88' ' ' VAL . 28.1 t80 -64.33 125.35 24.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 1.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 20.4 t0 80.06 11.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 3.8 tt0 -92.6 143.69 27.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 1.0 110.36 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.64 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.03 163.94 34.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 1.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 91' ' ' PHE . 83.5 mt -136.53 -80.6 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 1.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.931 HG22 HG23 ' A' ' 138' ' ' ILE . 14.5 t -125.51 145.99 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 1.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.949 HG22 HD12 ' A' ' 82' ' ' ILE . 95.8 t -102.78 122.22 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.639 ' CD1' HD21 ' A' ' 115' ' ' LEU . 1.4 mp -109.61 155.59 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.469 ' HB3' ' CG ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 1.0 110.342 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.5 ptm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.517 0.198 . . . . 1.0 111.029 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.84 150.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.851 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -65.61 -54.53 29.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.851 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.1 Cg_endo -75.07 58.25 4.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.777 . . . . 1.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 63.77 176.46 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 1.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.46 99.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 1.0 109.211 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.55 92.56 2.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 78' ' ' ILE . 3.7 tp10 66.24 142.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 79' ' ' SER . 1.7 pp -138.92 -53.35 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 1.0 109.328 -179.935 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 2.9 p 160.26 96.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 1.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.61 117.76 0.04 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.511 1.132 . . . . 1.0 111.05 -179.97 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.41 ' CG ' ' N ' ' A' ' 82' ' ' ILE . 24.7 t60 -121.97 161.91 22.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 1.0 109.604 -179.971 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.41 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 4.4 mp -136.93 123.78 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 1.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.77 HG12 HD12 ' A' ' 152' ' ' LEU . 87.4 t -86.08 116.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 1.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 86' ' ' PRO . 6.8 mtt-85 -106.69 111.57 24.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 1.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.932 ' HB2' HD21 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -38.68 99.28 0.19 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.564 1.165 . . . . 1.0 110.02 179.968 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.0 Cg_endo -75.0 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.422 1.749 . . . . 1.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.78 114.73 5.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 1.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.928 HG13 ' HA ' ' A' ' 147' ' ' GLU . 5.8 t -59.32 139.32 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 1.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.71 -120.51 0.98 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 1.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 143' ' ' GLY . 50.5 m -126.05 167.54 15.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 0.722 . . . . 1.0 110.356 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.704 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.2 t80 -138.09 132.32 31.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 1.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.515 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.1 m-85 -125.36 151.61 45.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 1.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.781 HH21 ' HB3' ' A' ' 116' ' ' CYS . 0.9 OUTLIER -101.51 -14.18 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.398 1.061 . . . . 1.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.887 HG22 ' HA ' ' A' ' 101' ' ' ALA . 44.0 p -130.11 155.48 80.68 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.26 3.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.54 1.81 . . . . 1.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -127.57 175.47 3.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 1.0 109.989 -179.976 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -32.04 5.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 1.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -118.01 55.27 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.73 143.05 43.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 171.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 1.0 109.235 -179.903 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.887 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.08 133.03 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.947 ' CE1' HG21 ' A' ' 114' ' ' THR . 7.1 m-85 -47.26 -43.09 21.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 1.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 tt -134.48 112.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 41.9 tt0 -86.22 117.68 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 1.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.575 HG22 HD11 ' A' ' 138' ' ' ILE . 89.4 t -40.32 116.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 1.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.609 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.72 11.36 12.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 1.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -118.12 169.53 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 1.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 54.5 tttt -109.48 167.54 10.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.095 . . . . 1.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 133' ' ' GLY . 12.6 m -141.82 135.8 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 1.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -116.26 142.92 46.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.36 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 1.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.31 -17.87 6.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 1.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.87 143.83 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 1.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.947 HG21 ' CE1' ' A' ' 102' ' ' PHE . 68.9 m -64.9 152.38 43.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 1.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.728 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.8 tp -117.74 -40.27 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 1.0 109.314 -179.922 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.781 ' HB3' HH21 ' A' ' 93' ' ' ARG . 13.9 p -178.63 -166.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 1.0 108.284 179.952 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.446 HG21 ' CG ' ' A' ' 124' ' ' MET . 4.4 mt -137.16 156.49 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 1.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.496 ' CG2' HD11 ' A' ' 127' ' ' ILE . 17.6 t -138.1 132.64 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 1.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -95.41 132.28 40.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 1.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -171.84 167.1 6.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 1.0 109.285 179.924 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.5 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 24.6 ptm 42.82 44.15 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 1.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? 43.48 51.83 6.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 1.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.2 mtm -171.06 155.74 4.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.446 ' CG ' HG21 ' A' ' 117' ' ' ILE . 4.5 ttm -84.33 141.29 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -135.54 103.25 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -73.77 156.02 38.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 1.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.496 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.3 mt -119.1 116.37 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.78 121.03 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.728 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.42 133.0 1.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.28 14.38 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.413 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -161.34 82.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 1.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 131' ' ' LYS . 49.2 p -39.19 138.76 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.474 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 178.25 -173.26 45.75 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.479 1.112 . . . . 1.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 18.5 m -116.57 151.14 36.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.785 . . . . 1.0 110.447 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.609 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.7 p -41.87 162.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -146.22 -48.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.65 133.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 1.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.73 129.8 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 1.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.66 HD21 HG23 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -97.38 -45.64 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 1.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.597 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.9 p -91.02 140.57 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.416 ' HG2' ' NE2' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -97.12 -179.1 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 1.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.3 t -77.09 97.54 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.515 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.02 -35.44 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 1.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.416 ' NE2' ' HG2' ' A' ' 141' ' ' GLU . 15.6 mt-30 -47.77 150.55 1.84 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 1.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 145' ' ' PRO . . . . . 0.538 ' O ' HG13 ' A' ' 146' ' ' VAL . 18.3 Cg_endo -75.01 178.27 7.49 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.446 1.761 . . . . 1.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.704 HG11 ' HB2' ' A' ' 91' ' ' PHE . 13.7 m -155.84 158.94 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 1.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.928 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.0 pt-20 -145.82 162.34 37.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.76 ' H ' HG22 ' A' ' 88' ' ' VAL . 9.7 t80 -62.47 135.16 57.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.12 -6.63 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 109.35 -179.938 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 147' ' ' GLU . 0.9 OUTLIER -89.22 133.24 35.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 1.0 110.273 179.969 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.458 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.97 156.75 43.13 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.41 1.742 . . . . 1.0 111.002 179.927 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.932 HD21 ' HB2' ' A' ' 85' ' ' SER . 15.9 mt -117.16 -75.02 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 138' ' ' ILE . 9.1 t -127.69 141.84 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.66 HG23 HD21 ' A' ' 139' ' ' LEU . 44.4 t -99.51 123.56 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.9 mt -107.72 163.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 1.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.503 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 66.4 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 1.0 110.356 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.502 ' CE1' ' HD2' ' A' ' 131' ' ' LYS . 12.2 m-70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.4 mp -142.84 116.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 152' ' ' LEU . 30.1 t -71.29 118.09 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 1.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 0.2 OUTLIER -109.39 107.58 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 110.349 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.581 ' HB3' HD11 ' A' ' 152' ' ' LEU . 2.0 p -39.98 106.13 0.39 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 1.0 109.955 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.71 8.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 1.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.77 121.03 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 1.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.684 HG22 ' N ' ' A' ' 148' ' ' PHE . 66.3 t -54.73 147.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.67 -126.56 1.86 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 1.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 143' ' ' GLY . 85.3 m -127.04 168.37 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.718 ' HD2' HD13 ' A' ' 152' ' ' LEU . 6.6 t80 -136.93 138.9 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 1.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.571 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.5 m-85 -133.23 159.04 41.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 1.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.74 ' HD2' HG21 ' A' ' 138' ' ' ILE . 0.9 OUTLIER -114.59 -17.55 11.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 1.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.981 HG22 ' HA ' ' A' ' 101' ' ' ALA . 44.2 p -136.19 155.73 77.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 1.0 110.363 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -11.74 21.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 1.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -164.21 178.74 1.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 1.0 110.033 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.03 -46.66 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 1.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.18 35.57 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 1.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.0 161.69 17.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 167.11 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.981 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -99.92 134.39 42.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 114' ' ' THR . 12.4 m-85 -54.93 -40.37 69.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 1.0 111.065 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 1.8 tt -132.69 113.65 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.16 111.27 20.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 1.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.3 t -40.17 116.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.566 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 106.69 19.46 9.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.55 165.38 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 1.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 150.35 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 1.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 133' ' ' GLY . 20.4 m -130.7 137.63 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.418 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 1.0 OUTLIER -117.0 144.2 44.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.526 HG23 ' H ' ' A' ' 132' ' ' SER . 3.1 t -40.18 108.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.94 -11.02 8.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 1.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.85 135.61 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.68 HG21 ' CE1' ' A' ' 102' ' ' PHE . 30.0 m -62.06 143.03 57.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 1.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 103' ' ' ILE . 7.4 mt -112.86 -31.43 6.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.562 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 0.9 OUTLIER 175.91 -172.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 108.317 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.603 HD13 ' HA ' ' A' ' 126' ' ' GLN . 12.4 mm -126.09 167.46 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 90' ' ' THR . 4.2 t -151.81 128.56 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 1.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.412 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.6 tt0 -83.15 128.45 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -168.24 166.56 12.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.107 . . . . 1.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 3.5 ptt? 42.61 45.65 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 tttt 42.1 51.68 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 1.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.14 155.82 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 1.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.4 mtt -72.11 139.85 48.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 1.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 120' ' ' ALA . 37.9 m-80 -132.11 102.13 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 1.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.65 ' HG3' HG23 ' A' ' 114' ' ' THR . 8.7 tt0 -70.73 152.96 43.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.503 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.6 mt -121.83 115.98 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 129' ' ' ALA . 6.7 tt0 -97.2 131.1 44.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 115' ' ' LEU . . . -40.28 133.03 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 1.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.62 12.93 32.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.502 ' HD2' ' CE1' ' A' ' 81' ' ' HIS . 1.1 tttp 177.75 103.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.526 ' H ' HG23 ' A' ' 111' ' ' VAL . 67.9 p -39.13 143.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.548 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 178.25 -178.62 48.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 1.0 110.982 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 40.9 m -112.58 145.57 40.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 1.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.566 HG11 ' H ' ' A' ' 106' ' ' GLY . 7.9 p -41.13 160.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.68 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -141.9 -49.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.237 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.37 138.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 1.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 1.015 HG23 HG22 ' A' ' 153' ' ' VAL . 4.6 mm -100.1 111.89 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.846 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -79.68 -46.2 17.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.628 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.7 p -86.78 152.29 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 172.33 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.2 p -70.86 105.25 3.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 1.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 107.83 -20.17 31.95 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 1.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 12.6 tt0 -57.17 139.56 79.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 1.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.3 Cg_endo -74.98 150.62 38.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.793 . . . . 1.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' A' ' 91' ' ' PHE . 1.3 m -131.37 161.61 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 6.4 mt-10 -130.15 175.08 9.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.684 ' N ' HG22 ' A' ' 88' ' ' VAL . 36.7 t80 -60.49 139.54 57.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.5 OUTLIER 58.17 15.95 3.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 1.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 26.2 tp10 -85.34 135.22 39.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 1.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.846 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.0 137.95 22.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 1.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.718 HD13 ' HD2' ' A' ' 91' ' ' PHE . 26.1 mt -112.83 -77.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 1.015 HG22 HG23 ' A' ' 138' ' ' ILE . 53.8 t -116.93 149.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 1.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.714 HG23 HD21 ' A' ' 139' ' ' LEU . 79.5 t -114.12 122.49 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.469 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.9 mp -107.74 164.34 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.618 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 9.3 m-70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.859 HD13 HG22 ' A' ' 154' ' ' VAL . 3.5 mm -132.3 117.73 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 1.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.821 HG21 HD13 ' A' ' 115' ' ' LEU . 93.7 t -87.03 116.53 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 1.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -115.73 123.5 48.45 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.551 1.157 . . . . 1.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.545 ' OG ' HG21 ' A' ' 146' ' ' VAL . 0.5 OUTLIER -44.52 103.53 0.34 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 1.0 109.933 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 1.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.7 mtt -154.65 116.06 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.815 HG22 ' H ' ' A' ' 148' ' ' PHE . 15.3 t -51.95 138.65 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.47 -120.84 0.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 1.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 91' ' ' PHE . 46.2 m -129.79 169.04 15.65 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.497 0.763 . . . . 1.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.789 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.5 t80 -140.76 137.47 33.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.556 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 78.4 m-85 -128.83 162.51 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 1.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.456 ' NH2' HD12 ' A' ' 138' ' ' ILE . 5.6 mmm-85 -111.19 -14.1 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 1.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.901 HG22 ' HA ' ' A' ' 101' ' ' ALA . 77.5 p -129.43 155.48 80.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 1.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.69 9.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.793 . . . . 1.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -141.92 177.2 1.99 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.0 Cg_endo -75.04 -43.42 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 1.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -100.82 52.91 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 1.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.9 144.44 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 1.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 168.18 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 1.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.901 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -73.9 133.0 43.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.955 ' CE1' HG21 ' A' ' 114' ' ' THR . 4.4 m-85 -44.14 -44.32 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.449 HD12 ' CG1' ' A' ' 109' ' ' VAL . 36.8 mm -134.65 139.69 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 1.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -104.63 115.72 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 110.23 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.506 ' HA ' HG21 ' A' ' 135' ' ' VAL . 57.4 t -40.47 116.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 1.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.531 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.31 25.73 5.43 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.441 1.088 . . . . 1.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -120.33 171.11 8.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.792 . . . . 1.0 110.297 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -108.79 123.58 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 103' ' ' ILE . 15.9 m -115.42 136.28 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.388 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -117.81 144.51 45.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.3 109.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 1.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.84 -3.44 6.95 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.508 1.13 . . . . 1.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.16 137.19 42.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 0.805 . . . . 1.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.955 HG21 ' CE1' ' A' ' 102' ' ' PHE . 97.3 m -59.43 141.84 53.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 1.0 110.431 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.821 HD13 HG21 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -112.58 -33.35 6.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.615 1.197 . . . . 1.0 109.255 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.5 ' SG ' ' CD1' ' A' ' 115' ' ' LEU . 21.1 p 178.39 -172.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 108.33 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 118' ' ' VAL . 5.9 mt -132.7 160.89 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.483 ' CG2' HD11 ' A' ' 127' ' ' ILE . 2.9 t -146.0 133.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -93.52 140.47 29.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 1.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.05 154.02 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.3 mmm 51.09 27.83 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 1.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt 63.6 43.85 5.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 1.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.4 mmt -159.52 150.26 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 124' ' ' MET . 1.8 pmm? -78.03 142.99 37.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 1.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -139.27 104.85 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 1.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -71.37 152.86 42.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.8 HG22 HD21 ' A' ' 115' ' ' LEU . 1.4 mt -118.83 116.95 52.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 1.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -95.09 122.75 38.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 1.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.4 133.1 1.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.39 15.17 26.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 1.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.618 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER 178.19 111.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 1.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 92.8 p -40.6 160.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 1.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.452 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -178.51 -173.29 43.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.756 ' O ' HG12 ' A' ' 135' ' ' VAL . 2.7 m -138.67 56.3 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 1.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 134' ' ' THR . 6.2 p 50.84 177.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.745 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -166.28 -47.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 1.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.07 133.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 1.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.816 HG23 HG22 ' A' ' 153' ' ' VAL . 1.0 OUTLIER -97.48 126.03 50.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.471 1.107 . . . . 1.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.811 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -96.72 -44.26 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.256 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.652 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.8 p -79.37 163.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 109.389 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.443 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.8 OUTLIER -115.0 172.77 6.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 1.0 110.291 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.4 t -82.44 101.86 10.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.556 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.36 -21.69 16.77 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.473 1.108 . . . . 1.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.26 150.98 83.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.416 0.715 . . . . 1.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -75.02 166.76 28.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 1.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 91' ' ' PHE . 34.1 m -143.8 158.8 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.669 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -133.69 163.52 29.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.815 ' H ' HG22 ' A' ' 88' ' ' VAL . 35.4 t80 -62.33 135.14 57.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 1.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 7.3 t70 74.49 4.03 4.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.3 tp10 -85.92 136.44 36.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.811 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.05 151.68 39.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 1.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.785 HD13 ' HD2' ' A' ' 91' ' ' PHE . 54.9 mt -120.35 -77.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.816 HG22 HG23 ' A' ' 138' ' ' ILE . 3.8 t -128.46 152.44 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 1.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.859 HG22 HD13 ' A' ' 82' ' ' ILE . 69.9 t -111.19 127.41 68.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 1.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 156' ' ' GLU . 4.9 mp -112.69 166.96 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.527 ' N ' HG22 ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.594 ' C ' HD12 ' A' ' 82' ' ' ILE . 3.8 m-70 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 81' ' ' HIS . 4.6 mp -132.06 116.05 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 1.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.804 HG12 HD12 ' A' ' 152' ' ' LEU . 37.2 t -77.9 117.9 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -105.8 119.36 38.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 1.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.871 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -45.43 103.75 0.36 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 109.993 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 0.44 8.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.778 . . . . 1.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.92 143.85 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 1.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.0 t -81.28 138.95 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 1.0 109.245 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.15 -121.16 1.03 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 1.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 85.7 m -127.66 167.43 16.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 1.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.767 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.4 t80 -138.06 135.45 35.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 1.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 72.8 m-85 -129.2 158.32 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.813 ' HD2' HG21 ' A' ' 138' ' ' ILE . 0.1 OUTLIER -113.42 -18.34 12.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 1.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 1.001 HG22 ' HA ' ' A' ' 101' ' ' ALA . 40.5 p -136.7 155.1 76.86 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 1.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.03 19.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 1.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -157.67 178.74 1.58 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.929 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.99 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 1.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.61 27.53 6.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.23 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.15 164.48 11.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 1.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 2.8 mmtp -65.0 167.39 7.88 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.001 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -107.04 136.74 46.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.845 ' CE1' HG21 ' A' ' 114' ' ' THR . 27.9 m-85 -63.92 -37.32 86.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 1.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.46 73.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 107' ' ' GLN . 16.7 pt-20 -64.61 123.42 19.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 1.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.498 HG22 HD11 ' A' ' 138' ' ' ILE . 53.1 t -40.22 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.689 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.23 13.76 24.01 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.499 1.125 . . . . 1.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -114.18 164.42 13.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 0.795 . . . . 1.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.497 ' CG ' HG23 ' A' ' 134' ' ' THR . 7.6 mttt -117.24 170.64 8.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 132' ' ' SER . 18.3 m -149.56 139.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 2.4 t30 -119.69 151.11 39.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.34 109.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.78 -14.27 9.15 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.488 1.118 . . . . 1.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 136.75 32.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.787 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.845 HG21 ' CE1' ' A' ' 102' ' ' PHE . 86.4 m -49.43 174.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 1.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.522 ' H ' HG22 ' A' ' 114' ' ' THR . 5.8 tp -137.75 -46.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.572 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.6 p -178.47 -165.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 1.0 108.306 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.496 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.8 mt -136.07 156.46 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.513 ' CG2' HD11 ' A' ' 127' ' ' ILE . 6.4 t -141.6 131.66 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -92.28 132.54 36.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 1.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.79 147.71 20.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 95.4 mtp 51.78 28.94 5.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 1.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt 64.57 42.0 5.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 1.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.5 ttm -147.56 158.53 44.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.456 1.098 . . . . 1.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.458 ' CG ' HG21 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -98.19 126.14 43.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 1.0 111.07 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -124.39 121.54 35.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.234 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -78.66 153.92 30.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 1.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.513 HD11 ' CG2' ' A' ' 118' ' ' VAL . 3.2 mt -123.34 115.9 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.23 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.84 152.75 21.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 1.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.483 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -63.13 157.06 23.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 1.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -135.84 18.62 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.518 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.4 OUTLIER 175.57 96.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.472 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 85.4 p -41.84 133.12 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.1 -173.04 39.87 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 1.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 135' ' ' VAL . 2.5 m -110.4 -173.98 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.774 . . . . 1.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.689 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.6 p -79.4 148.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 1.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.618 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -128.08 -48.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 168.56 133.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.813 HG21 ' HD2' ' A' ' 93' ' ' ARG . 1.0 OUTLIER -99.98 113.33 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 1.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.919 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -82.41 -44.88 15.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.622 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.7 p -78.42 140.3 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 1.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.39 150.9 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.3 p -64.05 92.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 1.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 123.05 -9.68 8.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 1.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.38 151.99 83.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 1.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.07 160.32 40.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 1.0 111.002 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.767 HG11 ' HB2' ' A' ' 91' ' ' PHE . 6.6 m -140.21 157.97 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 1.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.651 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -131.46 155.93 46.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 1.0 110.288 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.851 ' H ' HG22 ' A' ' 88' ' ' VAL . 17.6 t80 -62.98 133.99 55.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 1.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.0 t70 83.55 -3.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.354 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 3.2 mm-40 -89.6 148.24 39.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 1.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.552 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.01 155.96 42.91 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.52 1.8 . . . . 1.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.871 HD11 ' HA ' ' A' ' 85' ' ' SER . 74.9 mt -122.0 -80.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 1.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.776 HG22 HG23 ' A' ' 138' ' ' ILE . 3.8 t -127.11 150.1 32.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.919 HG23 HD21 ' A' ' 139' ' ' LEU . 35.7 t -103.21 123.82 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 1.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.5 mp -108.79 163.86 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 1.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 1.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.461 ' HB2' ' CD ' ' A' ' 131' ' ' LYS . 23.6 t60 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.911 ' CD1' HG13 ' A' ' 154' ' ' VAL . 22.6 mm -135.0 115.83 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 1.0 109.365 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.59 HG12 HD12 ' A' ' 152' ' ' LEU . 84.4 t -82.44 116.56 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -112.35 127.66 56.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.745 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -46.67 104.52 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.982 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.3 9.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.81 . . . . 1.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.1 ttm -159.69 127.2 4.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.855 HG22 ' H ' ' A' ' 148' ' ' PHE . 6.3 t -60.05 139.2 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.58 -123.15 1.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 1.0 111.042 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 91' ' ' PHE . 86.4 m -129.77 167.82 17.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 1.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.783 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.8 t80 -137.53 135.64 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 66.9 m-85 -129.37 152.86 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 1.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.435 ' NH2' HD12 ' A' ' 138' ' ' ILE . 9.1 mmm-85 -101.16 -13.94 17.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 1.0 110.248 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.936 HG22 ' HA ' ' A' ' 101' ' ' ALA . 53.7 p -130.41 155.54 80.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 1.0 110.418 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -26.55 10.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.567 1.825 . . . . 1.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.11 175.88 2.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 109.992 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.94 -37.35 2.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.567 1.825 . . . . 1.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -108.25 54.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.27 149.67 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 168.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.936 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -84.01 132.99 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.935 ' CE1' HG21 ' A' ' 114' ' ' THR . 8.9 m-85 -50.45 -41.77 53.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -140.68 109.75 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 1.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.7 129.28 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.467 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.9 t -40.26 116.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.117 . . . . 1.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.715 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.22 7.27 21.31 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.438 1.086 . . . . 1.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -111.39 159.38 18.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 1.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -105.93 168.93 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 1.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.2 m -145.18 139.06 22.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 109.33 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -123.2 146.99 47.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 1.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.38 109.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.453 1.095 . . . . 1.0 109.255 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.24 3.63 12.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.51 137.54 46.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.77 . . . . 1.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.935 HG21 ' CE1' ' A' ' 102' ' ' PHE . 96.3 m -63.16 141.39 58.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 110.448 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.842 HD21 HG22 ' A' ' 127' ' ' ILE . 3.5 pp -112.71 -32.85 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 109.36 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 12.3 p -178.71 -164.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.508 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.7 mt -139.69 150.64 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 109.228 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' THR . 45.0 t -130.85 132.76 63.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 1.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.93 129.66 46.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -158.01 157.54 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 1.0 109.23 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 mtm 51.72 20.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.4 44.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.37 150.25 23.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.0 mtm -79.06 137.2 37.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 1.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.22 95.38 3.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 1.0 109.241 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -62.07 151.92 34.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 1.0 110.355 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.842 HG22 HD21 ' A' ' 115' ' ' LEU . 2.9 mm -114.2 115.8 50.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.77 125.2 35.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.442 ' HA ' HD23 ' A' ' 115' ' ' LEU . . . -41.91 133.07 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.601 1.188 . . . . 1.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.19 14.45 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.461 ' CD ' ' HB2' ' A' ' 81' ' ' HIS . 18.6 tttt -166.61 84.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 1.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' LYS . 53.9 p -39.2 142.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 1.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.16 -173.32 46.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.111 . . . . 1.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.2 m -117.0 151.74 36.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 0.785 . . . . 1.0 110.429 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.715 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.2 p -41.75 161.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.501 1.126 . . . . 1.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.5 tmtm? -148.71 -47.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.329 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 168.46 132.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.82 HG23 HG22 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -102.11 136.57 33.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.622 HD21 HG23 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -105.55 -48.03 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.313 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.547 HG13 ' CE1' ' A' ' 91' ' ' PHE . 9.0 p -69.11 167.77 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 1.0 109.352 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.1 mp0 -119.57 168.95 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 1.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 t -82.91 87.15 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.07 -5.68 7.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 1.0 110.986 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.37 149.9 69.69 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 1.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -75.04 158.98 41.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 1.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.6 m -138.64 160.19 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.601 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.2 tt0 -132.44 157.14 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 1.0 110.347 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.855 ' H ' HG22 ' A' ' 88' ' ' VAL . 14.6 t80 -63.16 134.56 56.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 83.82 -6.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.466 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 48.5 mm-40 -86.02 148.55 48.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 1.0 110.264 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.61 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.97 168.13 25.53 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.453 1.765 . . . . 1.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.745 HD11 ' HA ' ' A' ' 85' ' ' SER . 61.0 mt -138.32 -80.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 1.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.82 HG22 HG23 ' A' ' 138' ' ' ILE . 11.2 t -124.63 142.2 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 1.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.911 HG13 ' CD1' ' A' ' 82' ' ' ILE . 45.9 t -100.13 128.93 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 1.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.5 mp -119.32 163.88 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 1.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.478 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 11.6 pt-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 1.0 110.339 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.514 ' CG ' ' HB2' ' A' ' 131' ' ' LYS . 3.8 t60 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.609 -0.515 . . . . 1.0 109.609 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.682 HG12 HG13 ' A' ' 154' ' ' VAL . 8.8 mt -99.43 123.18 51.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.159 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.006 HG21 HD13 ' A' ' 115' ' ' LEU . 72.2 t -81.24 122.51 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 1.0 109.287 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -110.58 119.65 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 1.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.84 ' HB2' HD21 ' A' ' 152' ' ' LEU . 32.3 t -39.36 105.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 110.071 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.47 8.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 1.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.76 ' CG ' HG11 ' A' ' 118' ' ' VAL . 16.1 ptp -161.29 135.74 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.87 HG22 ' H ' ' A' ' 148' ' ' PHE . 2.9 t -70.73 140.22 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 1.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.61 -118.78 0.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 1.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 27.3 m -128.39 169.9 13.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.78 . . . . 1.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.784 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.5 t80 -140.84 141.57 34.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.4 m-85 -135.67 154.18 51.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.485 ' HD3' HG21 ' A' ' 138' ' ' ILE . 16.3 mmm-85 -101.06 -15.85 17.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 1.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.969 HG22 ' HA ' ' A' ' 101' ' ' ALA . 77.0 p -131.38 155.57 81.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -29.34 8.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.779 . . . . 1.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.494 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -141.03 177.79 1.81 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 1.0 109.98 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -43.14 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 1.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.84 52.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 1.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.51 145.29 40.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 1.0 109.377 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -58.05 169.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.969 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -84.2 133.02 34.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.911 ' CE1' HG21 ' A' ' 114' ' ' THR . 9.9 m-85 -49.99 -41.96 48.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 1.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.407 HD12 HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -134.92 97.59 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 1.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.593 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 3.4 mp0 -76.25 122.71 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 1.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.498 HG22 HD11 ' A' ' 138' ' ' ILE . 55.1 t -40.14 115.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.583 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 99.68 28.05 7.67 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 1.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 134' ' ' THR . 6.4 tt0 -114.4 171.83 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 1.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 136.6 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.407 HG11 HD12 ' A' ' 103' ' ' ILE . 15.5 m -135.26 135.88 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.437 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.5 p-10 -118.44 143.89 46.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.04 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 1.0 109.36 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.95 -0.99 7.84 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 1.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.74 137.53 44.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 0.757 . . . . 1.0 109.214 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.911 HG21 ' CE1' ' A' ' 102' ' ' PHE . 85.0 m -54.07 141.12 29.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.0 110.37 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.006 HD13 HG21 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -114.01 -31.79 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.422 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 26.3 p -177.78 -168.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 108.261 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.787 HG23 ' O ' ' A' ' 125' ' ' ASN . 4.9 mt -136.79 146.11 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 1.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.76 HG11 ' CG ' ' A' ' 87' ' ' MET . 16.2 t -124.48 130.15 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 1.0 109.346 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -102.2 139.95 37.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 110.222 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -135.89 -176.13 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 120' ' ' ALA . 2.4 ptp -37.37 94.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 111.057 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 120' ' ' ALA . 13.3 pttt 39.94 57.98 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -159.41 133.94 7.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 1.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.68 123.92 48.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.787 ' O ' HG23 ' A' ' 117' ' ' ILE . 8.2 m-80 -127.12 153.92 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -114.19 160.64 18.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 110.289 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.782 ' CG2' HD21 ' A' ' 115' ' ' LEU . 2.3 mm -118.58 117.89 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -95.11 116.11 28.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.14 133.15 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 1.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -113.82 3.88 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 1.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.514 ' HB2' ' CG ' ' A' ' 81' ' ' HIS . 2.7 mptt -155.31 89.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 1.0 109.322 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 77.2 p -39.12 155.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.23 -173.0 45.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.094 . . . . 1.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.742 ' O ' HG12 ' A' ' 135' ' ' VAL . 2.1 m -130.13 69.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.597 0.822 . . . . 1.0 110.383 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 134' ' ' THR . 6.6 p 50.57 177.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 1.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.69 ' H ' HG22 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -167.81 -43.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.272 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 165.07 133.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.815 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.58 133.87 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 1.0 109.278 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.07 -44.71 4.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.7 p -74.89 158.86 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.05 161.69 15.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.8 p -72.82 95.02 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 116.83 -5.39 18.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.155 . . . . 1.0 111.024 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.464 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -78.61 150.95 76.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 1.0 110.23 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.0 Cg_endo -75.0 157.42 42.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.528 1.804 . . . . 1.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.8 m -139.36 157.23 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 1.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.795 ' HA ' HG13 ' A' ' 88' ' ' VAL . 23.3 tt0 -127.99 149.66 50.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.87 ' H ' HG22 ' A' ' 88' ' ' VAL . 6.9 t80 -60.68 138.18 58.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 1.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 10.6 t70 85.01 -8.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 1.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 14.9 mm-40 -92.15 145.74 31.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.3 Cg_endo -75.03 163.91 34.34 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.809 . . . . 1.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.84 HD21 ' HB2' ' A' ' 85' ' ' SER . 18.3 mt -128.47 -75.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.815 HG22 HG23 ' A' ' 138' ' ' ILE . 6.1 t -128.76 142.68 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.682 HG13 HG12 ' A' ' 82' ' ' ILE . 2.7 t -99.77 124.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.474 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.7 mp -113.12 157.05 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 1.0 110.387 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 1.023 ' CE1' HD13 ' A' ' 155' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.977 ' CD1' HG13 ' A' ' 154' ' ' VAL . 15.4 mm -126.14 124.08 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.709 HG23 ' CE1' ' A' ' 81' ' ' HIS . 9.2 t -94.89 118.61 41.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 76.6 mtm-85 -109.21 130.08 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 1.0 110.354 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.769 ' CA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -50.62 106.55 0.66 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 1.0 110.047 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.79 . . . . 1.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.9 mmm -155.48 128.85 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.404 1.065 . . . . 1.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.823 HG22 ' H ' ' A' ' 148' ' ' PHE . 11.8 t -64.84 139.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.44 -124.5 1.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 1.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 62.9 m -125.84 170.01 12.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 1.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.783 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.4 t80 -141.47 143.19 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.8 m-85 -136.17 155.41 50.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.51 ' HD3' HG21 ' A' ' 138' ' ' ILE . 19.4 mmm180 -101.19 -15.9 17.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.97 HG22 ' HA ' ' A' ' 101' ' ' ALA . 65.3 p -133.48 155.55 80.55 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.11 12.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 1.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -148.68 177.9 1.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.08 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -45.45 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 1.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -98.55 48.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.32 155.2 48.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 166.53 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 1.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.97 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -87.21 135.08 33.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 1.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.819 ' CE1' HG21 ' A' ' 114' ' ' THR . 14.8 m-85 -56.17 -40.06 73.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.885 HD12 HG11 ' A' ' 109' ' ' VAL . 5.2 mm -129.73 84.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.13 114.23 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.9 t -39.96 117.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 1.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.635 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 102.92 15.69 23.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.381 1.05 . . . . 1.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -113.39 169.95 8.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 0.754 . . . . 1.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 133' ' ' GLY . 0.0 OUTLIER -119.13 154.47 33.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 1.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.885 HG11 HD12 ' A' ' 103' ' ' ILE . 34.5 m -135.23 146.7 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.229 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 52.6 t-20 -125.2 148.04 48.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 1.0 109.381 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.7 p -40.35 109.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.21 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.63 -13.08 7.34 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.541 1.151 . . . . 1.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.71 135.95 35.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.819 HG21 ' CE1' ' A' ' 102' ' ' PHE . 87.0 m -48.04 174.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.0 110.393 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.697 HD13 ' HB2' ' A' ' 129' ' ' ALA . 5.4 tp -138.08 -46.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 p -176.35 -172.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 1.0 108.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 125' ' ' ASN . 3.9 mt -129.42 152.1 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.228 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.48 ' CG2' HD11 ' A' ' 127' ' ' ILE . 4.3 t -135.36 132.05 52.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.42 142.26 31.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 110.257 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -138.37 -176.19 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 122' ' ' LYS . 2.5 mtt -37.72 93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 39.91 57.64 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 109.237 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.98 150.11 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.427 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -118.41 134.03 55.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 1.0 111.012 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.586 ' O ' HG23 ' A' ' 117' ' ' ILE . 5.4 m-80 -130.15 151.21 50.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 1.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.34 152.22 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 110.246 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.48 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.5 mt -115.15 116.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -99.35 133.03 44.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.697 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -51.09 140.33 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 1.0 109.259 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -122.82 16.31 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 1.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -174.91 97.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.0 109.33 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 78.2 p -40.82 142.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 1.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.424 ' O ' ' CD ' ' A' ' 108' ' ' LYS . . . 178.76 178.37 48.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.126 . . . . 1.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 155' ' ' ILE . 0.9 OUTLIER -113.2 154.45 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 1.0 110.351 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.635 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.8 p -43.82 165.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.0 109.373 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -150.85 -49.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 174.86 132.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 1.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 1.082 HG23 HG22 ' A' ' 153' ' ' VAL . 2.7 mm -100.67 113.67 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.793 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -81.4 -44.22 17.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.56 HG13 ' CE1' ' A' ' 91' ' ' PHE . 9.8 p -79.57 167.21 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.489 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.1 mt-10 -120.81 170.9 9.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.5 t -81.02 95.39 6.8 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.542 1.151 . . . . 1.0 109.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 115.33 -4.91 21.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 1.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.47 150.54 73.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 1.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.02 160.29 40.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 1.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 91' ' ' PHE . 6.1 m -139.92 156.57 25.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 1.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.531 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.4 OUTLIER -128.9 154.2 46.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 1.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.823 ' H ' HG22 ' A' ' 88' ' ' VAL . 15.0 t80 -62.71 135.2 57.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 10.7 t70 83.71 -6.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 1.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.47 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 37.8 mm-40 -87.74 149.78 46.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 1.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.793 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.99 168.28 25.2 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.435 1.755 . . . . 1.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.769 HD11 ' CA ' ' A' ' 85' ' ' SER . 54.1 mt -139.2 -79.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 1.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 1.082 HG22 HG23 ' A' ' 138' ' ' ILE . 19.1 t -120.36 139.6 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.977 HG13 ' CD1' ' A' ' 82' ' ' ILE . 66.3 t -107.79 120.4 59.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 1.023 HD13 ' CE1' ' A' ' 81' ' ' HIS . 1.2 mp -105.85 163.52 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.489 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.36 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.513 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.626 -0.509 . . . . 1.0 109.626 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.885 ' CG1' HG13 ' A' ' 154' ' ' VAL . 5.0 mt -90.86 123.91 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.475 1.109 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.523 HG21 HD13 ' A' ' 115' ' ' LEU . 95.8 t -83.38 135.43 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 1.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 2.4 mtm180 -124.33 117.43 24.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 1.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.705 ' HB2' HD21 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -41.12 101.05 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.446 1.761 . . . . 1.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.43 115.23 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 1.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.784 HG22 ' H ' ' A' ' 148' ' ' PHE . 19.4 t -52.02 138.37 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 1.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.71 -124.19 1.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 1.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 91' ' ' PHE . 84.2 m -127.04 170.61 12.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 1.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.71 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.4 t80 -140.52 143.36 35.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 110.951 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 69.8 m-85 -137.36 155.79 48.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 1.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -102.31 -15.14 16.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.961 HG22 ' HA ' ' A' ' 101' ' ' ALA . 81.2 p -131.68 155.53 81.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 1.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.66 19.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 1.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -150.59 168.67 10.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 1.0 110.072 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.31 12.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 1.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.21 34.23 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.419 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -119.66 150.49 40.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 1.0 109.24 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 170.47 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.961 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -90.01 133.16 34.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.933 ' CE1' HG21 ' A' ' 114' ' ' THR . 12.7 m-85 -54.2 -40.24 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 1.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.718 ' CD1' HG11 ' A' ' 109' ' ' VAL . 20.0 mt -139.35 114.7 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 1.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 4.1 tt0 -93.38 120.05 33.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 1.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 138' ' ' ILE . 92.0 t -40.29 116.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.429 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 110.63 22.16 6.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 1.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.69 165.18 22.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 1.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -109.59 168.75 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.718 HG11 ' CD1' ' A' ' 103' ' ' ILE . 16.6 m -149.62 148.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 27.6 p30 -121.33 142.23 50.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 1.0 109.267 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.599 HG23 ' H ' ' A' ' 132' ' ' SER . 3.3 t -40.47 109.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.115 . . . . 1.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.63 -3.47 7.06 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.488 1.118 . . . . 1.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.84 137.54 43.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 1.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.933 HG21 ' CE1' ' A' ' 102' ' ' PHE . 97.7 m -56.29 141.65 40.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.571 1.169 . . . . 1.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.782 HD21 HG22 ' A' ' 127' ' ' ILE . 2.1 pp -112.79 -32.85 6.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.505 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.75 -167.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.435 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.6 mt -136.73 150.82 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' THR . 55.0 t -133.56 130.06 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -92.97 129.42 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 1.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.92 153.88 26.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 7.1 mmm 47.14 42.11 12.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 1.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 121' ' ' MET . 16.2 pttp 48.9 45.96 22.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 1.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 143.77 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 1.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 124' ' ' MET . 1.0 OUTLIER -73.78 137.41 43.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -135.22 96.25 3.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 1.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -65.59 151.32 46.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.312 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.782 HG22 HD21 ' A' ' 115' ' ' LEU . 2.7 mm -119.19 115.84 49.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.103 . . . . 1.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -91.62 126.71 36.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 1.0 110.256 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -41.01 140.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 1.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -121.66 19.54 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 1.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.09 93.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 1.0 109.264 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.599 ' H ' HG23 ' A' ' 111' ' ' VAL . 60.1 p -39.9 146.53 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 1.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 171.23 -173.2 44.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 1.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 135' ' ' VAL . 3.6 m -116.63 170.66 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 1.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.496 ' N ' HG22 ' A' ' 134' ' ' THR . 7.3 p -55.61 157.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.495 1.122 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.0 OUTLIER -142.21 -47.41 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 1.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.35 133.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.869 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.67 136.08 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -105.67 -47.44 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 1.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.603 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.0 p -85.84 137.97 19.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 1.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.26 178.42 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.1 t -77.96 93.42 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 110.026 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.92 -15.95 6.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.457 1.098 . . . . 1.0 111.029 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -66.78 148.92 98.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 1.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.4 Cg_endo -74.92 169.71 22.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.421 1.748 . . . . 1.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' ' 91' ' ' PHE . 28.8 m -147.12 158.22 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 1.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.558 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -131.18 165.79 22.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.0 110.295 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.784 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.6 t80 -66.69 125.28 25.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.3 t70 82.01 -3.8 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 1.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -76.7 144.99 74.13 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 1.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.672 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.1 Cg_endo -75.0 150.22 37.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 1.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.705 HD21 ' HB2' ' A' ' 85' ' ' SER . 28.8 mt -123.41 -77.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.869 HG22 HG23 ' A' ' 138' ' ' ILE . 15.1 t -129.42 139.01 52.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.885 HG13 ' CG1' ' A' ' 82' ' ' ILE . 12.3 t -97.65 121.89 48.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -111.48 163.88 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.11 . . . . 1.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 40.0 tt0 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 1.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.916 HG13 HG13 ' A' ' 154' ' ' VAL . 2.2 mp -92.46 120.28 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.92 116.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 1.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -109.19 108.26 18.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 1.0 110.271 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.05 104.12 0.34 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 1.0 110.055 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.53 8.74 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 1.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.16 126.84 8.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 1.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.626 HG22 ' HA ' ' A' ' 147' ' ' GLU . 58.1 t -61.6 150.55 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 1.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.95 -116.7 0.76 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 1.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.458 ' N ' HG22 ' A' ' 146' ' ' VAL . 72.7 m -138.83 165.52 26.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 1.0 110.359 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.837 ' HD2' HD13 ' A' ' 152' ' ' LEU . 3.1 t80 -134.39 135.79 42.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 1.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 58.6 m-85 -132.21 146.19 51.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 1.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 19.3 mmm-85 -91.73 -16.07 27.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.946 HG22 ' HA ' ' A' ' 101' ' ' ALA . 69.0 p -136.35 155.34 77.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 110.404 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.464 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.3 Cg_endo -74.96 -11.6 21.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 1.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.89 170.73 6.15 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 1.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -24.87 12.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.424 1.75 . . . . 1.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -111.68 20.33 17.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 1.0 109.291 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' LYS . . . -109.3 148.28 31.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -52.48 -174.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.946 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -108.85 134.38 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.959 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 30.5 m-85 -63.39 -36.78 84.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 1.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.505 HG21 HD13 ' A' ' 115' ' ' LEU . 29.3 pt -137.08 115.18 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -98.39 113.25 25.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -40.34 116.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.376 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.618 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.4 20.19 7.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 1.0 111.021 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.07 159.33 34.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 1.0 110.245 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -101.31 168.13 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 133' ' ' GLY . 28.8 m -147.19 144.89 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 1.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.432 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.1 p-10 -134.16 150.99 51.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -40.36 108.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 1.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.56 -25.08 4.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 1.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.41 138.33 31.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.791 HG21 ' CD1' ' A' ' 102' ' ' PHE . 86.6 m -59.75 175.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.635 HD23 ' HB2' ' A' ' 129' ' ' ALA . 0.3 OUTLIER -135.7 -46.68 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 1.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 1.009 ' O ' HD13 ' A' ' 117' ' ' ILE . 27.0 p -174.46 -160.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 108.269 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 1.009 HD13 ' O ' ' A' ' 116' ' ' CYS . 8.9 mm -135.49 150.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.46 HG23 HG13 ' A' ' 127' ' ' ILE . 56.8 t -134.4 119.83 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 109.241 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -89.39 127.37 35.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 1.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.55 167.79 7.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 7.0 mtt 52.06 44.61 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 45.06 35.13 1.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 1.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.85 172.26 17.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.64 127.09 53.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 117' ' ' ILE . 9.0 m-80 -118.38 154.27 32.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.82 ' HG3' HD12 ' A' ' 117' ' ' ILE . 0.9 OUTLIER -111.62 150.49 30.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 1.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.46 HG13 HG23 ' A' ' 118' ' ' VAL . 4.7 mm -113.84 116.06 51.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 1.0 109.327 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -97.59 139.2 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.076 . . . . 1.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.635 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -43.88 133.07 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -121.03 15.47 11.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 1.0 109.357 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 6.9 tttp -176.96 88.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 1.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 81.6 p -39.25 135.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 110.002 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 177.04 -173.22 46.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.549 1.156 . . . . 1.0 111.015 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.0 OUTLIER -109.41 168.22 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 1.0 110.373 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.618 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.0 p -63.29 143.54 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.692 ' HD3' HG12 ' A' ' 154' ' ' VAL . 1.0 OUTLIER -119.62 -45.17 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.55 133.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 1.01 HG23 HG22 ' A' ' 153' ' ' VAL . 1.4 mt -98.69 135.25 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.04 -44.06 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.2 p -70.36 137.82 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 1.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 144' ' ' GLN . 0.2 OUTLIER -100.81 119.52 38.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 1.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.446 ' HB2' ' CG ' ' A' ' 93' ' ' ARG . 18.6 t -38.74 101.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 1.0 109.968 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 121.4 -5.08 10.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 1.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 141' ' ' GLU . 0.1 OUTLIER -87.35 151.77 51.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.408 0.71 . . . . 1.0 110.271 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 150.66 38.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 1.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.728 HG12 ' CD2' ' A' ' 152' ' ' LEU . 5.4 m -119.02 158.21 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.626 ' HA ' HG22 ' A' ' 88' ' ' VAL . 3.7 mt-10 -134.27 165.06 25.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.537 ' N ' HG22 ' A' ' 88' ' ' VAL . 22.6 t80 -59.05 138.41 57.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 1.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 55.37 19.14 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 1.0 109.239 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 36.2 tp10 -86.67 135.11 36.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.371 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 142.39 27.9 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.47 1.773 . . . . 1.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.837 HD13 ' HD2' ' A' ' 91' ' ' PHE . 70.8 mt -119.23 -80.32 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 1.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 1.01 HG22 HG23 ' A' ' 138' ' ' ILE . 8.7 t -117.89 150.28 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.916 HG13 HG13 ' A' ' 82' ' ' ILE . 21.3 t -106.85 126.56 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 1.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.458 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 2.0 mp -117.98 161.39 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 4.0 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 1.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.655 -0.498 . . . . 1.0 109.655 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.888 HG13 HG13 ' A' ' 154' ' ' VAL . 2.4 mp -88.44 118.72 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 1.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.06 123.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.9 mtt85 -105.51 116.29 31.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 1.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.762 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -40.31 100.45 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 1.0 109.985 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 0.42 8.94 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.419 1.747 . . . . 1.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.08 130.64 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.768 HG22 ' H ' ' A' ' 148' ' ' PHE . 6.7 t -66.89 145.85 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 1.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.17 -120.92 1.12 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 1.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 145' ' ' PRO . 46.5 m -128.86 166.7 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 1.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.768 ' HB2' HG11 ' A' ' 146' ' ' VAL . 5.8 t80 -136.89 137.01 39.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 110.989 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.575 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 63.9 m-85 -131.89 153.07 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.403 1.064 . . . . 1.0 111.055 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.846 ' HD2' HG21 ' A' ' 138' ' ' ILE . 3.3 mtp180 -108.69 -18.58 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.956 HG22 ' HA ' ' A' ' 101' ' ' ALA . 36.9 p -136.78 154.74 76.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 1.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.08 19.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 1.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -159.0 178.66 1.61 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.968 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -75.0 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 1.0 111.037 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -104.06 35.16 2.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 1.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.53 161.1 18.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 1.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -61.4 168.72 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.956 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -108.45 135.05 50.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 1.177 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.846 ' CE1' HG21 ' A' ' 114' ' ' THR . 26.4 m-85 -61.6 -37.64 84.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 1.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.9 pt -137.07 73.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.75 118.89 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.251 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.1 t -40.5 116.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 1.0 109.252 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.696 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 106.5 12.46 24.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 1.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -112.91 171.09 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.406 0.709 . . . . 1.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.721 ' HG2' HG23 ' A' ' 134' ' ' THR . 0.0 OUTLIER -119.92 168.22 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 1.0 109.223 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.7 m -146.72 141.11 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -122.82 149.28 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.4 109.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 1.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.03 -16.15 8.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 1.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.28 136.18 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 1.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.846 HG21 ' CE1' ' A' ' 102' ' ' PHE . 87.5 m -47.89 174.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 110.441 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.525 ' H ' HG22 ' A' ' 114' ' ' THR . 6.8 tp -138.58 -46.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.591 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -177.87 -167.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 125' ' ' ASN . 3.5 mt -134.95 148.03 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 1.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 90' ' ' THR . 41.5 t -129.32 128.29 66.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.536 1.148 . . . . 1.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.35 135.2 42.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -133.41 -176.24 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -37.99 93.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 39.88 57.4 2.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.497 1.123 . . . . 1.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -159.26 128.24 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.5 mtt -102.68 121.77 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.736 ' O ' HG23 ' A' ' 117' ' ' ILE . 7.9 m-80 -124.54 158.51 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.597 1.186 . . . . 1.0 109.212 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -116.65 167.04 11.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 115' ' ' LEU . 4.4 mm -128.2 115.97 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -95.65 145.15 25.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 1.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.489 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -60.45 134.05 56.69 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.136 . . . . 1.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -116.84 15.31 15.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -174.93 93.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 109.257 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 83.8 p -39.95 137.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.96 -173.27 43.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 1.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.721 HG23 ' HG2' ' A' ' 108' ' ' LYS . 6.9 m -110.55 -174.33 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.726 . . . . 1.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.701 ' H ' HG22 ' A' ' 134' ' ' THR . 10.4 p -78.65 142.79 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 1.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.84 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -121.58 -47.18 2.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 1.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.81 133.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.846 HG21 ' HD2' ' A' ' 93' ' ' ARG . 1.6 mt -99.59 117.65 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 1.034 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -87.87 -43.1 12.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' A' ' 91' ' ' PHE . 10.8 p -81.62 137.94 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.418 ' HA ' ' NH1' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -89.95 151.78 21.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.9 t -64.88 85.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 131.67 -5.49 5.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 1.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -81.1 150.94 69.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.791 . . . . 1.0 110.32 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.3 Cg_endo -74.89 158.8 42.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 1.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.768 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.7 m -138.86 158.69 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 1.0 109.302 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.76 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.2 tt0 -128.23 159.92 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.768 ' H ' HG22 ' A' ' 88' ' ' VAL . 22.3 t80 -65.33 130.71 44.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 1.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 18.9 t0 83.2 -5.6 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.22 146.88 52.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.51 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.05 147.42 33.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 1.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' A' ' 85' ' ' SER . 90.0 mt -116.47 -79.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 1.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.759 HG22 HG23 ' A' ' 138' ' ' ILE . 11.0 t -124.23 151.87 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 1.034 HG23 HD21 ' A' ' 139' ' ' LEU . 14.9 t -106.37 124.08 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.464 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.5 mp -114.01 159.9 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.6 tm-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 110.239 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.9 t60 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.988 ' CD1' HG13 ' A' ' 154' ' ' VAL . 8.6 mm -137.48 120.86 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 1.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.499 HG12 HD12 ' A' ' 152' ' ' LEU . 61.2 t -86.98 116.37 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 1.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -105.33 122.36 45.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 1.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.823 ' HA ' HD11 ' A' ' 152' ' ' LEU . 5.9 t -45.96 105.45 0.47 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 1.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.43 8.9 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 1.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -160.13 134.66 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 1.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.88 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.0 t -68.72 139.53 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 109.253 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.18 -122.3 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 1.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 91' ' ' PHE . 59.4 m -130.63 169.09 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 0.811 . . . . 1.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.795 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.6 t80 -138.93 138.39 37.32 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 1.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.486 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 66.6 m-85 -129.6 161.31 30.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.607 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 7.0 mmm-85 -110.76 -14.2 14.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 1.0 110.305 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.951 HG22 ' HA ' ' A' ' 101' ' ' ALA . 46.2 p -134.51 155.4 79.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 1.0 110.437 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.27 9.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 1.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.508 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.92 178.67 1.37 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.05 -41.96 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.465 1.771 . . . . 1.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -99.95 36.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -118.96 154.29 33.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.385 1.053 . . . . 1.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -66.59 166.69 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.951 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -88.06 133.59 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 1.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.909 ' CE1' HG21 ' A' ' 114' ' ' THR . 20.1 m-85 -56.67 -39.13 73.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 1.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.61 93.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.052 . . . . 1.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.28 125.03 28.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.0 110.25 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.411 ' HA ' HG21 ' A' ' 135' ' ' VAL . 60.8 t -40.26 116.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 1.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.697 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.34 13.28 10.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 1.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -122.61 171.15 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 1.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.437 ' C ' HG13 ' A' ' 109' ' ' VAL . 1.4 pttt -118.02 178.56 4.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 1.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.618 HG21 HD21 ' A' ' 115' ' ' LEU . 31.6 m -154.45 144.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 1.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -118.42 171.91 7.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 1.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.94 108.95 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 1.0 109.369 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.15 -8.04 12.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.563 1.165 . . . . 1.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.46 135.55 34.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 0.712 . . . . 1.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.909 HG21 ' CE1' ' A' ' 102' ' ' PHE . 92.0 m -57.88 147.27 29.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 1.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 129' ' ' ALA . 6.5 mt -114.64 -36.45 4.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 1.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.675 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 174.06 -173.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 1.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.429 HG13 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -127.35 161.61 34.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 1.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.496 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.0 t -146.27 128.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.4 tt0 -84.18 132.62 34.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -161.46 151.69 17.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 1.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.493 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 8.2 mmm 47.51 43.16 15.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 1.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 121' ' ' MET . 9.4 pttm 49.08 44.86 23.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.449 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 2.0 mmt -163.0 140.77 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 1.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -68.34 142.68 55.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 1.0 111.058 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 123' ' ' MET . 20.7 m-80 -136.9 103.27 5.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.174 . . . . 1.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.32 157.49 36.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 1.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.496 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -125.89 117.2 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -90.86 129.28 36.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.63 ' HA ' HD12 ' A' ' 115' ' ' LEU . . . -40.45 133.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 1.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.13 14.92 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -174.31 88.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' LYS . 10.3 m -39.17 137.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 1.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.88 -174.71 46.18 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.51 1.131 . . . . 1.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -114.27 168.77 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 0.803 . . . . 1.0 110.393 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.697 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.7 p -59.14 158.12 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 1.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 16.1 tptt -145.22 -46.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 1.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.07 132.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 1.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.931 HG23 HG22 ' A' ' 153' ' ' VAL . 0.8 OUTLIER -104.57 128.02 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.716 HD21 HG23 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -94.86 -46.98 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 1.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.616 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.6 p -79.49 148.13 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.52 169.9 8.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 1.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 18.2 t -77.49 87.51 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.486 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.35 -5.54 7.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.96 150.67 75.35 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.533 0.784 . . . . 1.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.01 158.74 41.98 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.537 1.809 . . . . 1.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.795 HG11 ' HB2' ' A' ' 91' ' ' PHE . 4.0 m -138.45 157.42 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 1.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.64 ' HG3' HG13 ' A' ' 88' ' ' VAL . 5.5 mp0 -131.66 151.08 51.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 1.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.88 ' H ' HG22 ' A' ' 88' ' ' VAL . 8.3 t80 -61.32 136.74 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 1.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.8 t70 84.33 -7.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.46 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 4.1 mt-10 -92.23 148.95 37.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 1.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.594 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -75.0 160.8 39.73 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.509 1.794 . . . . 1.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.823 HD11 ' HA ' ' A' ' 85' ' ' SER . 59.5 mt -127.26 -76.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.931 HG22 HG23 ' A' ' 138' ' ' ILE . 34.7 t -125.72 137.97 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.988 HG13 ' CD1' ' A' ' 82' ' ' ILE . 38.5 t -96.31 124.66 49.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.8 mp -108.67 164.27 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.5 ' CG ' ' HB ' ' A' ' 134' ' ' THR . 7.3 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 1.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.485 ' CG ' ' N ' ' A' ' 82' ' ' ILE . 26.2 t60 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.586 -0.524 . . . . 1.0 109.586 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.485 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 14.6 mt -141.09 116.53 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 152' ' ' LEU . 39.3 t -71.47 117.81 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 1.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -104.62 109.74 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.068 . . . . 1.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.863 ' HB3' HD11 ' A' ' 152' ' ' LEU . 2.2 p -44.57 105.98 0.49 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 0.75 8.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 1.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.18 133.92 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 1.0 111.006 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.756 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.7 t -77.44 138.86 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 1.0 109.375 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.99 -123.82 1.25 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 1.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 118' ' ' VAL . 21.9 m -122.23 167.93 12.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 1.0 110.433 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.816 ' HD2' HD13 ' A' ' 152' ' ' LEU . 14.4 t80 -137.73 138.5 39.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 1.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.4 m-85 -136.4 147.59 47.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 1.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.773 ' HD2' HG21 ' A' ' 138' ' ' ILE . 7.0 mtp180 -107.3 -19.26 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 1.017 HG22 ' HA ' ' A' ' 101' ' ' ALA . 40.5 p -136.86 155.14 76.6 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 1.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -10.94 21.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 1.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.454 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.5 OUTLIER -165.47 172.71 4.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 110.027 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -27.0 10.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 1.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.04 24.3 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -107.64 161.89 14.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 1.0 109.206 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -59.18 176.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 1.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.017 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -116.33 135.2 54.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.871 ' CD1' HG21 ' A' ' 114' ' ' THR . 21.5 m-85 -61.51 -38.07 86.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -128.06 88.78 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.36 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 110.1 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.0 110.272 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.0 t -40.23 117.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 1.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.758 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 106.18 6.09 36.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 1.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 165.12 11.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 1.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.62 169.21 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.5 m -147.26 139.1 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.475 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.7 t-20 -124.31 154.67 39.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.24 108.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 1.0 109.403 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.24 -37.98 2.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 1.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.74 135.15 46.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 0.728 . . . . 1.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.871 HG21 ' CD1' ' A' ' 102' ' ' PHE . 94.5 m -53.47 172.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 1.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 115' ' ' LEU . 5.6 mt -135.73 -46.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 1.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.509 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 26.8 p -178.13 -160.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 1.0 108.354 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.611 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.5 mt -139.77 154.9 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.514 ' CG2' HD11 ' A' ' 127' ' ' ILE . 47.3 t -140.05 129.25 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.19 125.5 34.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -151.17 149.53 29.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 1.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 11.8 mtp 47.39 43.41 15.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 121' ' ' MET . 1.2 ptpp? 49.09 44.78 23.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.421 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 9.4 tpt -158.95 131.37 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.77 139.82 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 123' ' ' MET . 54.6 m-80 -137.14 103.57 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 1.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -68.24 156.7 37.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 118' ' ' VAL . 3.5 mt -123.12 115.85 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 1.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.0 132.79 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.5 132.97 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 1.0 109.338 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -123.99 15.15 9.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.8 tttp -172.37 86.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 1.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 84.0 p -39.23 130.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 110.036 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -168.97 -172.28 35.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.567 1.167 . . . . 1.0 111.002 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.763 HG22 ' HB3' ' A' ' 156' ' ' GLU . 14.2 t -123.01 147.39 46.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 1.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.758 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.0 p -41.39 160.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.749 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.5 OUTLIER -150.88 -46.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 1.0 109.369 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.793 ' C ' HD13 ' A' ' 138' ' ' ILE . . . 172.95 133.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 1.024 HD12 HG13 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -101.66 112.14 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 1.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.884 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -82.19 -40.84 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 1.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.674 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.3 p -84.99 140.81 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.389 1.055 . . . . 1.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.8 163.15 12.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 1.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.31 100.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 1.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 118.24 -25.53 8.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 1.0 111.039 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.469 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -58.84 151.81 52.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 1.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.4 Cg_endo -75.08 169.29 22.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.582 1.833 . . . . 1.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.624 HG12 ' CD2' ' A' ' 152' ' ' LEU . 2.0 m -143.02 156.44 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 1.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.679 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.1 tp10 -138.31 156.84 47.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.756 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.8 t80 -59.47 138.23 57.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 1.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.3 t70 72.03 6.27 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 1.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.1 tp10 -93.15 136.51 24.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.551 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.97 143.81 29.6 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.789 . . . . 1.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 85' ' ' SER . 33.4 mt -114.63 -79.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.603 1.189 . . . . 1.0 109.329 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 1.024 HG13 HD12 ' A' ' 138' ' ' ILE . 54.6 t -112.64 137.77 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.884 HG23 HD21 ' A' ' 139' ' ' LEU . 69.9 t -99.58 124.63 53.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 1.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.3 mm -111.66 163.95 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.763 ' HB3' HG22 ' A' ' 134' ' ' THR . 1.2 tm-20 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 1.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CE1' HD13 ' A' ' 155' ' ' ILE . 4.9 p80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.643 -0.502 . . . . 1.0 109.643 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.471 HG13 HG13 ' A' ' 154' ' ' VAL . 4.0 mp -90.73 116.13 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 1.0 109.233 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 152' ' ' LEU . 50.7 t -77.13 117.45 22.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.077 . . . . 1.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -98.5 122.22 41.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 110.363 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.751 ' HA ' HD11 ' A' ' 152' ' ' LEU . 1.4 t -39.05 99.56 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 1.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.14 9.24 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 1.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.45 117.69 3.13 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 1.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.817 HG13 ' HA ' ' A' ' 147' ' ' GLU . 4.6 t -60.67 140.01 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.99 -117.35 0.78 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.402 1.064 . . . . 1.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.512 ' O ' HG13 ' A' ' 118' ' ' VAL . 88.5 m -129.97 168.4 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 1.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.777 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.7 t80 -140.67 139.59 34.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 62.9 m-85 -131.01 162.21 30.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.5 mmm-85 -109.69 -13.73 14.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 1.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.99 HG22 ' HA ' ' A' ' 101' ' ' ALA . 76.5 p -131.84 155.46 81.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 1.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.83 12.51 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.547 1.814 . . . . 1.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -145.51 174.15 3.69 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 -37.82 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 1.0 111.023 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -105.51 45.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.616 1.198 . . . . 1.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.52 153.73 48.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 1.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 166.65 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.99 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -79.43 133.03 36.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 1.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.779 ' CE1' HG21 ' A' ' 114' ' ' THR . 8.4 m-85 -50.47 -41.85 53.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 1.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.945 ' O ' HD12 ' A' ' 103' ' ' ILE . 2.7 pp -132.8 115.07 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.82 116.46 25.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.358 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.5 t -40.74 116.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.537 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.85 16.41 9.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 1.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -120.65 171.09 8.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.772 . . . . 1.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 166.43 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 1.0 109.388 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.506 HG21 HD11 ' A' ' 115' ' ' LEU . 15.0 m -143.03 138.49 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -118.1 143.26 46.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 1.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.41 109.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.91 -17.42 7.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.51 138.68 31.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 0.771 . . . . 1.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.779 HG21 ' CE1' ' A' ' 102' ' ' PHE . 65.4 m -62.78 144.47 56.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.506 HD11 HG21 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -113.3 -33.93 5.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 1.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.576 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 176.17 -173.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 1.0 108.279 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 118' ' ' VAL . 4.9 mt -126.58 160.5 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 1.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 90' ' ' THR . 24.4 t -145.65 125.81 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 1.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.5 tt0 -84.65 130.55 34.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -158.15 152.26 24.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 1.0 109.372 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.85 19.52 2.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.42 39.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.406 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -157.39 150.37 23.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 1.0 110.961 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -73.99 135.01 43.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.407 1.067 . . . . 1.0 110.985 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 123' ' ' MET . 18.2 m-80 -132.84 102.67 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.66 ' HG3' HG23 ' A' ' 114' ' ' THR . 29.8 tt0 -66.48 157.79 31.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.467 ' N ' ' CG ' ' A' ' 126' ' ' GLN . 2.8 mm -122.45 115.73 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -92.57 129.86 38.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.07 . . . . 1.0 110.333 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -45.98 143.6 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -123.64 18.16 9.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 1.0 109.282 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.7 tttm 179.83 94.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.7 p -39.42 149.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.497 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 170.65 -172.98 44.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.43 1.082 . . . . 1.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 135' ' ' VAL . 2.5 m -109.8 -175.2 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 0.745 . . . . 1.0 110.383 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.578 ' H ' HG22 ' A' ' 134' ' ' THR . 8.8 p -82.38 138.88 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.664 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -116.92 -46.51 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 109.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.61 140.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 1.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.829 HD12 ' CG1' ' A' ' 153' ' ' VAL . 0.9 OUTLIER -103.55 128.7 56.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.759 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -99.21 -41.99 7.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 1.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.665 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.8 p -83.72 150.35 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -103.89 172.73 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 110.281 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 p -81.01 97.34 7.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 1.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 118.51 -14.46 11.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 1.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 150.44 96.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.507 0.769 . . . . 1.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.63 34.97 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 1.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 91' ' ' PHE . 21.7 m -142.13 158.42 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 1.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.817 ' HA ' HG13 ' A' ' 88' ' ' VAL . 15.3 tt0 -140.62 154.12 46.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 1.0 110.349 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.809 ' H ' HG22 ' A' ' 88' ' ' VAL . 1.4 t80 -60.85 137.83 58.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 1.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.95 -8.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.0 109.368 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.97 144.53 30.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.747 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -74.98 157.59 42.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 1.0 111.06 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 85' ' ' SER . 74.0 mt -124.4 -81.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 1.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.829 ' CG1' HD12 ' A' ' 138' ' ' ILE . 3.4 t -121.27 144.17 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.575 1.172 . . . . 1.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.759 HG23 HD21 ' A' ' 139' ' ' LEU . 49.9 t -104.05 120.55 54.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 1.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.604 HD13 ' CE1' ' A' ' 81' ' ' HIS . 1.6 mp -105.14 163.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 1.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.2 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.664 -0.495 . . . . 1.0 109.664 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.638 HG12 HG13 ' A' ' 154' ' ' VAL . 37.4 mt -86.5 122.49 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.773 HG21 HD23 ' A' ' 115' ' ' LEU . 4.7 t -78.66 126.23 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -111.78 117.22 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.698 ' HB2' HD21 ' A' ' 152' ' ' LEU . 2.7 t -48.34 107.12 0.69 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 1.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.53 8.82 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 1.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.09 153.87 42.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.868 HG22 ' H ' ' A' ' 148' ' ' PHE . 6.1 t -94.29 139.12 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 145' ' ' PRO . . . 157.08 -113.51 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 1.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 95.4 m -135.5 166.11 23.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.752 . . . . 1.0 110.384 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.852 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.6 t80 -134.28 139.1 45.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.2 m-85 -132.77 159.23 40.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 1.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.841 ' HD2' HG21 ' A' ' 138' ' ' ILE . 5.9 mtp180 -115.29 -17.79 11.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 110.336 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.983 HG22 ' HA ' ' A' ' 101' ' ' ALA . 57.4 p -136.08 155.39 77.62 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 1.0 110.444 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -13.5 21.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 1.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -158.98 178.76 1.57 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 1.0 110.03 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 -48.03 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 1.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -99.87 26.69 6.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.439 ' HB2' ' OG ' ' A' ' 96' ' ' SER . . . -103.02 159.8 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -60.17 168.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.983 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -106.68 137.36 44.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 1.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.843 ' O ' HD13 ' A' ' 103' ' ' ILE . 14.0 m-85 -59.91 -39.56 85.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 1.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 102' ' ' PHE . 4.8 mm -132.7 100.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 107' ' ' GLN . 10.1 pt-20 -81.76 112.29 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 1.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.526 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.8 t -40.36 116.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 109.348 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.713 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 112.14 8.78 21.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 1.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.45 ' HB2' ' CG ' ' A' ' 104' ' ' GLU . 6.3 tt0 -114.89 167.07 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 1.0 110.364 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -111.44 160.28 17.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 1.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.46 HG11 HD12 ' A' ' 103' ' ' ILE . 29.2 m -138.18 143.25 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.6 m-80 -125.64 151.17 46.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.5 p -40.08 109.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 1.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.8 -22.47 6.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 1.0 111.044 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.18 134.53 34.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 0.713 . . . . 1.0 109.206 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.829 HG21 ' CE1' ' A' ' 102' ' ' PHE . 95.4 m -53.87 172.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.773 HD23 HG21 ' A' ' 83' ' ' VAL . 3.7 tp -136.64 -45.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.658 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p -178.86 -173.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 108.237 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.47 HD11 ' CE2' ' A' ' 102' ' ' PHE . 2.7 mt -126.39 160.31 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 1.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 90' ' ' THR . 22.0 t -143.78 122.91 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 1.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.43 129.25 34.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -174.51 170.8 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.7 ptt? 42.39 46.15 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 40.94 51.75 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -177.94 161.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 1.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.14 134.31 35.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 1.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -125.56 102.22 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -72.37 157.71 37.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.49 115.76 44.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 1.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -93.23 144.04 25.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.525 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -60.22 135.56 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.13 15.07 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.98 91.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 1.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 88.1 p -39.28 141.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 109.934 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.76 -173.35 43.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.445 1.09 . . . . 1.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.1 m -113.85 164.89 13.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 1.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.713 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.2 p -61.98 151.08 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.852 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -130.94 -48.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 1.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.72 141.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.841 HG21 ' HD2' ' A' ' 93' ' ' ARG . 2.3 mt -102.0 123.36 55.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 1.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.862 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -96.48 -43.9 7.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.596 HG13 ' CE1' ' A' ' 91' ' ' PHE . 8.0 p -72.45 137.68 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 142' ' ' SER . 3.8 tm-20 -96.06 104.48 16.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 1.0 110.261 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 141' ' ' GLU . 8.5 p -36.65 104.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 110.063 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 122.44 -4.46 10.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.123 . . . . 1.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -97.39 153.25 38.45 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 1.0 110.276 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 89' ' ' GLY . 18.3 Cg_endo -74.94 138.99 23.93 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.852 HG11 ' HB2' ' A' ' 91' ' ' PHE . 1.8 m -119.35 166.42 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 1.0 109.292 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.655 ' HA ' HG13 ' A' ' 88' ' ' VAL . 27.5 tt0 -135.18 152.65 51.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 1.07 . . . . 1.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.868 ' H ' HG22 ' A' ' 88' ' ' VAL . 6.7 t80 -61.23 137.3 58.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.5 t70 85.46 -8.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.421 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 4.6 mt-10 -90.04 144.42 31.31 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 110.237 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -74.91 165.72 30.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 1.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 85' ' ' SER . 24.0 mt -132.17 -79.48 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 1.0 109.38 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 138' ' ' ILE . 2.0 t -115.58 155.54 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.862 ' CG2' HD21 ' A' ' 139' ' ' LEU . 19.4 t -110.03 123.35 65.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.392 1.058 . . . . 1.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.2 mp -113.04 163.81 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.528 HG12 HG13 ' A' ' 154' ' ' VAL . 69.2 mt -139.46 116.11 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 1.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.891 HG12 HD12 ' A' ' 152' ' ' LEU . 52.5 t -82.54 120.56 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 1.0 109.217 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.679 HH21 ' HA ' ' A' ' 149' ' ' ASP . 68.4 mtp180 -107.15 118.21 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 1.0 110.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.901 ' OG ' HD21 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -38.71 99.24 0.19 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 110.014 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -74.98 -1.07 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.799 . . . . 1.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.03 121.27 6.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 1.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 148' ' ' PHE . 21.5 t -62.4 143.96 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 1.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.92 -118.32 0.87 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 1.0 111.035 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 143' ' ' GLY . 92.0 m -131.49 166.32 21.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 1.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.792 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -137.04 134.14 36.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 59.2 m-85 -126.4 161.96 26.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 1.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.5 mmm-85 -110.54 -13.71 14.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 1.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.99 HG22 ' HA ' ' A' ' 101' ' ' ALA . 39.4 p -136.63 155.54 76.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 1.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -10.6 21.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.78 . . . . 1.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -159.21 175.46 3.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 110.019 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -32.67 5.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 1.0 111.036 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.87 25.47 10.7 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.515 1.134 . . . . 1.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -103.04 152.56 21.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 1.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -52.6 170.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 1.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.99 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -98.5 133.61 42.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 1.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.958 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 19.8 m-85 -56.93 -39.15 73.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 1.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.1 pt -143.29 124.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -99.35 110.99 23.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 1.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.487 ' HA ' HG21 ' A' ' 135' ' ' VAL . 75.3 t -40.3 116.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.538 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.29 28.65 5.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.085 . . . . 1.0 111.054 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.98 171.08 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 1.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -112.87 113.71 25.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 132' ' ' SER . 26.5 m -107.48 142.76 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 1.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.444 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 95.8 m-20 -124.79 147.54 48.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 1.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.24 109.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.572 1.17 . . . . 1.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.41 -16.49 5.15 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 1.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.87 137.59 33.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 1.0 109.243 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.584 HG21 ' CE1' ' A' ' 102' ' ' PHE . 46.7 m -55.3 176.59 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 1.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.612 HD21 HD11 ' A' ' 155' ' ' ILE . 5.2 tp -136.05 -46.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.747 ' O ' HD13 ' A' ' 117' ' ' ILE . 1.2 p -175.9 -173.08 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 1.0 108.284 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.958 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 17.3 mm -124.32 160.82 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 1.0 109.309 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 90' ' ' THR . 6.3 t -143.0 125.62 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -91.09 137.48 32.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.805 ' HB3' ' CG ' ' A' ' 123' ' ' MET . . . -135.91 -176.13 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 122' ' ' LYS . 1.7 mmt -39.64 93.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 40.02 55.22 2.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.805 ' CG ' ' HB3' ' A' ' 120' ' ' ALA . 5.2 ptp -160.41 150.85 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.0 mtm -115.32 124.95 52.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 1.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.411 ' ND2' ' N ' ' A' ' 125' ' ' ASN . 1.4 m-80 -115.77 143.58 45.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.691 ' HG3' HD12 ' A' ' 117' ' ' ILE . 1.1 mt-30 -110.69 138.86 46.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mm -103.11 116.47 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -102.96 137.32 41.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -58.04 132.95 55.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -110.17 13.77 23.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 1.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.0 tttt 178.76 112.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.087 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 58.2 p -39.02 146.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 110.061 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -161.57 -173.16 29.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.18 . . . . 1.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.751 ' O ' HG12 ' A' ' 135' ' ' VAL . 6.5 t -142.26 53.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 0.803 . . . . 1.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 134' ' ' THR . 6.1 p 50.71 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.791 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -166.78 -47.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 1.0 109.283 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.27 133.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.965 HG23 HG22 ' A' ' 153' ' ' VAL . 1.5 mt -100.55 118.73 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -89.84 -36.66 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.369 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' A' ' 91' ' ' PHE . 8.8 p -81.42 159.89 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.89 156.01 23.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.62 93.09 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 1.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 120.55 -23.09 8.07 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.536 1.147 . . . . 1.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.61 151.48 83.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.736 . . . . 1.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.5 Cg_endo -74.94 158.24 42.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 1.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.792 HG11 ' HB2' ' A' ' 91' ' ' PHE . 8.7 m -135.8 156.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 1.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.472 ' HA ' HG13 ' A' ' 88' ' ' VAL . 18.5 tp10 -133.08 151.64 52.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.794 ' H ' HG22 ' A' ' 88' ' ' VAL . 11.9 t80 -60.2 138.56 57.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 1.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.679 ' HA ' HH21 ' A' ' 84' ' ' ARG . 0.0 OUTLIER 85.27 -9.13 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 1.0 109.343 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 5.4 mt-10 -91.57 141.9 26.3 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 1.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.487 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.03 161.93 37.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 1.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.901 HD21 ' OG ' ' A' ' 85' ' ' SER . 17.6 mt -124.54 -76.4 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 1.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.965 HG22 HG23 ' A' ' 138' ' ' ILE . 4.1 t -129.24 139.56 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.594 1.184 . . . . 1.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.791 HG12 ' HD3' ' A' ' 136' ' ' LYS . 38.6 t -100.53 129.05 51.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 1.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.612 HD11 HD21 ' A' ' 115' ' ' LEU . 2.4 mp -112.7 167.86 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.0 109.391 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.646 ' HB3' HG22 ' A' ' 134' ' ' THR . 2.2 tt0 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 1.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.654 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.892 ' CD1' HG13 ' A' ' 154' ' ' VAL . 35.9 mm -91.34 116.02 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.854 HG11 HD11 ' A' ' 115' ' ' LEU . 70.6 t -79.68 117.37 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.083 . . . . 1.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -119.17 129.23 54.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.697 ' OG ' HD11 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -57.78 109.77 2.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 110.012 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.51 8.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.501 1.79 . . . . 1.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.2 126.58 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 1.0 111.034 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.787 HG22 ' HA ' ' A' ' 147' ' ' GLU . 19.8 t -49.13 150.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.534 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 161.8 -134.06 3.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 1.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 143' ' ' GLY . 84.8 m -139.17 126.85 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.767 . . . . 1.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.643 ' HD2' HD13 ' A' ' 152' ' ' LEU . 4.7 t80 -90.27 133.83 34.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 1.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 40.8 m-85 -130.0 146.69 51.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.542 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 20.5 mmm-85 -95.64 -13.69 24.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 1.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.916 HG22 ' HA ' ' A' ' 101' ' ' ALA . 27.6 p -135.6 155.45 78.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 1.0 110.381 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -25.66 11.66 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.477 1.777 . . . . 1.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.49 177.59 1.77 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 1.0 109.986 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 -41.35 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 1.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -108.11 54.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.44 161.12 35.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 167.02 10.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 1.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.916 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.47 133.83 34.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.0 109.371 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' A' ' 114' ' ' THR . 14.0 m-85 -53.26 -40.82 64.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 1.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 22.8 pt -140.6 125.66 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 1.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' VAL . 18.7 mm-40 -102.0 119.72 39.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 1.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' A' ' 135' ' ' VAL . 79.2 t -40.42 116.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 1.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.627 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 115.71 14.93 7.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.414 1.071 . . . . 1.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -125.89 165.55 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 1.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 165.39 11.61 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.48 1.112 . . . . 1.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.15 140.29 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 1.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -117.7 146.22 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.41 109.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.45 -11.88 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 1.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.8 137.81 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.747 HG23 ' HG3' ' A' ' 126' ' ' GLN . 61.8 m -66.34 142.15 57.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 1.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.035 HD21 HG22 ' A' ' 127' ' ' ILE . 1.3 pp -112.64 -31.99 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 1.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.608 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.1 p -177.39 -170.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 1.0 108.217 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.732 HD13 ' HA ' ' A' ' 126' ' ' GLN . 24.9 mm -130.62 156.37 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 1.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.94 117.4 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 1.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -99.18 133.17 43.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 1.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -167.24 155.54 9.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 1.0 109.399 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.3 mtp 49.93 31.61 4.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 1.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 59.21 44.67 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -151.07 153.28 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.5 ttp -92.3 137.31 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 1.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -137.05 92.13 2.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 1.0 109.357 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.747 ' HG3' HG23 ' A' ' 114' ' ' THR . 29.6 tt0 -65.96 142.61 57.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 1.0 110.313 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 1.035 HG22 HD21 ' A' ' 115' ' ' LEU . 9.0 mm -103.47 115.82 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.21 125.78 41.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.64 133.21 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 109.233 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -115.3 15.08 16.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.2 tmtp? -169.94 88.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.09 . . . . 1.0 109.39 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' LYS . 59.8 p -39.3 138.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.52 -173.05 43.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 1.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 135' ' ' VAL . 5.5 m -111.59 169.07 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 1.0 110.447 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.627 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.0 p -63.7 141.74 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.776 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -121.93 -45.17 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 1.0 109.379 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.76 133.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 1.0 109.239 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.954 HG23 HG22 ' A' ' 153' ' ' VAL . 1.4 mt -99.85 133.06 44.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 1.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.415 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -106.95 -44.52 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 1.0 109.287 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.605 HG21 ' HB3' ' A' ' 91' ' ' PHE . 14.4 p -70.66 144.43 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 1.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 143' ' ' GLY . 1.1 tp10 -103.67 140.58 37.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 1.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.6 p -50.18 92.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 1.0 109.975 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 132.26 -24.49 3.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 1.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 148.0 54.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 1.0 110.265 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.09 21.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 1.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.753 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.4 m -138.83 159.11 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.787 ' HA ' HG22 ' A' ' 88' ' ' VAL . 4.1 tt0 -138.94 173.13 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 15.0 t80 -69.08 114.42 7.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 1.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.31 11.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 1.0 109.319 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.27 145.7 56.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.524 ' O ' HD23 ' A' ' 152' ' ' LEU . 18.1 Cg_endo -75.0 159.04 41.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.563 1.823 . . . . 1.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.697 HD11 ' OG ' ' A' ' 85' ' ' SER . 90.0 mt -136.48 -80.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.954 HG22 HG23 ' A' ' 138' ' ' ILE . 22.0 t -126.58 154.48 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.892 HG13 ' CD1' ' A' ' 82' ' ' ILE . 72.9 t -107.75 122.3 61.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 1.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -115.99 163.77 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.435 1.084 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 11.7 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.647 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.626 HD13 HG13 ' A' ' 154' ' ' VAL . 4.0 mm -82.64 123.8 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 1.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.647 HG22 ' CE1' ' A' ' 81' ' ' HIS . 59.6 t -87.77 116.38 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 1.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -106.71 123.24 47.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.765 ' HB2' HD21 ' A' ' 152' ' ' LEU . 4.3 t -55.21 108.69 1.24 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.28 9.13 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.504 1.791 . . . . 1.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 ttp -142.07 154.3 44.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.834 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.7 t -94.6 138.79 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 145' ' ' PRO . . . 157.81 -113.76 0.58 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 1.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 86.1 m -136.7 161.5 35.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.382 0.696 . . . . 1.0 110.449 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.825 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -128.18 136.9 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 1.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 50.8 m-85 -132.08 159.7 38.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 1.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.79 ' HD2' HG21 ' A' ' 138' ' ' ILE . 1.0 OUTLIER -114.76 -17.59 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 1.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 1.003 HG22 ' HA ' ' A' ' 101' ' ' ALA . 75.4 p -135.27 155.29 78.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -10.41 21.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 1.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -163.6 178.79 1.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 110.039 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -50.54 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.557 1.82 . . . . 1.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.46 31.84 2.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 1.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -111.51 154.71 24.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 1.0 109.215 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.87 169.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.003 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -106.49 137.61 44.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 1.0 109.292 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 1.004 ' CD2' HD11 ' A' ' 117' ' ' ILE . 10.7 m-85 -57.9 -40.57 80.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 1.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.587 HD13 HG11 ' A' ' 109' ' ' VAL . 1.1 tp -132.53 103.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.176 . . . . 1.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -82.34 112.96 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 1.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.579 HG22 HD11 ' A' ' 138' ' ' ILE . 90.1 t -40.06 116.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.651 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.78 11.13 17.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 1.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -117.49 167.32 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 1.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 15.2 tttp -111.22 165.02 12.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 1.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.587 HG11 HD13 ' A' ' 103' ' ' ILE . 28.1 m -143.83 142.83 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 15.8 m-80 -120.94 148.62 43.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.5 p -39.8 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 1.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.48 -19.29 6.32 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.565 1.166 . . . . 1.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.86 135.25 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 0.741 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.836 HG21 ' CE1' ' A' ' 102' ' ' PHE . 94.1 m -52.92 172.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.47 1.106 . . . . 1.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.734 HD23 ' HB2' ' A' ' 129' ' ' ALA . 0.1 OUTLIER -137.51 -45.43 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 1.0 109.353 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.577 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.3 p -174.09 -172.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 108.272 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 1.004 HD11 ' CD2' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -126.23 157.92 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 1.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' THR . 76.8 t -138.48 116.71 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 1.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.47 126.13 35.45 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 1.0 110.244 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -122.69 -175.88 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 1.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -47.29 91.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 1.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 45.91 41.03 7.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 1.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.413 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -146.17 106.77 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 1.0 111.029 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 ttp -80.72 127.98 33.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 1.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 117' ' ' ILE . 3.0 m-80 -126.77 157.57 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -124.76 156.34 37.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 1.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 115' ' ' LEU . 6.8 mm -115.82 116.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 1.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -103.17 126.56 50.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 1.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.734 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -42.12 133.03 3.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 1.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -116.16 12.34 15.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 1.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 4.0 tttt -169.44 93.49 0.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 1.0 109.244 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 72.1 p -38.76 136.7 0.71 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.554 1.159 . . . . 1.0 109.99 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.23 -172.6 41.12 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.536 1.147 . . . . 1.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.8 m -113.22 167.01 10.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.795 . . . . 1.0 110.451 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.651 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.4 p -63.22 147.34 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.668 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -124.98 -48.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 1.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.17 134.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.235 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.836 HG23 HG22 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -94.42 126.1 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 1.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.837 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -99.49 -42.83 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.652 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.7 p -74.93 137.87 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 1.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.434 ' H ' ' NE2' ' A' ' 144' ' ' GLN . 1.2 mt-10 -95.53 104.55 16.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' GLU . 6.5 t -37.6 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 1.0 110.062 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.92 -5.32 6.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 1.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.434 ' NE2' ' H ' ' A' ' 141' ' ' GLU . 1.5 pt20 -97.24 152.4 38.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 1.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 89' ' ' GLY . 18.4 Cg_endo -75.04 139.33 24.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.584 1.834 . . . . 1.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.825 HG11 ' HB2' ' A' ' 91' ' ' PHE . 1.1 m -120.54 165.78 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 1.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.6 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.1 mt-10 -133.65 155.46 49.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 1.0 110.373 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.834 ' H ' HG22 ' A' ' 88' ' ' VAL . 10.3 t80 -61.33 136.88 58.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 110.971 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 83.98 -6.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 1.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 47.6 mm-40 -87.92 148.44 43.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 110.239 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 169.0 23.57 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 1.0 111.013 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.765 HD21 ' HB2' ' A' ' 85' ' ' SER . 28.0 mt -137.56 -81.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.836 HG22 HG23 ' A' ' 138' ' ' ILE . 24.4 t -117.62 160.93 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 1.0 109.377 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.837 ' CG2' HD21 ' A' ' 139' ' ' LEU . 39.4 t -115.75 122.18 68.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 1.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.537 HD11 HD11 ' A' ' 115' ' ' LEU . 2.2 mp -113.13 163.83 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.498 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 20.5 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.891 ' CG1' HG13 ' A' ' 154' ' ' VAL . 13.4 mt -90.2 117.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.822 HG21 HD23 ' A' ' 115' ' ' LEU . 27.0 t -66.76 118.21 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.553 1.158 . . . . 1.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -105.88 107.21 18.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 1.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.504 ' HB2' HD21 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -42.27 106.51 0.46 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 110.027 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 0.46 8.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 1.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.77 156.37 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 1.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.004 HG13 ' HA ' ' A' ' 147' ' ' GLU . 2.8 t -97.57 140.42 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.96 -117.16 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.417 1.073 . . . . 1.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 91' ' ' PHE . 54.4 m -131.56 168.28 17.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 1.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.802 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.7 t80 -137.37 136.85 38.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 1.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.566 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 67.4 m-85 -129.97 151.3 50.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 1.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.501 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 21.6 mmm-85 -97.48 -17.09 19.84 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.097 . . . . 1.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.931 HG22 ' HA ' ' A' ' 101' ' ' ALA . 41.3 p -134.46 155.45 79.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.474 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.2 Cg_endo -75.07 -28.31 9.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.59 1.837 . . . . 1.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.92 178.71 1.37 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 1.0 110.008 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -74.99 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.466 1.772 . . . . 1.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.66 50.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 1.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.71 158.32 42.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 1.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -67.1 171.7 5.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.13 . . . . 1.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.931 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.85 133.49 37.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 1.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.869 ' CD1' HG21 ' A' ' 114' ' ' THR . 25.6 m-85 -58.85 -38.18 78.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.474 HD12 HG11 ' A' ' 153' ' ' VAL . 15.8 pt -132.11 91.64 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.06 113.3 14.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.359 1.037 . . . . 1.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.416 ' HA ' HG21 ' A' ' 135' ' ' VAL . 55.0 t -40.1 116.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.795 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.09 11.12 22.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.453 1.096 . . . . 1.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.48 164.63 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.379 0.693 . . . . 1.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.485 ' C ' ' CD ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -112.34 153.95 26.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.434 HG21 HD11 ' A' ' 115' ' ' LEU . 23.2 m -129.76 131.11 66.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.414 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 19.0 t-20 -116.18 152.52 33.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.31 108.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 1.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.5 -17.57 8.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.161 . . . . 1.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.71 135.5 33.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 0.805 . . . . 1.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.869 HG21 ' CD1' ' A' ' 102' ' ' PHE . 88.8 m -56.26 174.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.822 HD23 HG21 ' A' ' 83' ' ' VAL . 3.3 tp -136.18 -46.9 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.596 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -178.59 -159.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 1.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.612 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.2 mt -138.59 155.7 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 1.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' THR . 37.2 t -141.18 124.36 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 1.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -83.24 128.54 34.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.17 155.08 26.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 1.0 109.253 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.4 mmm 47.13 42.47 13.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 1.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 121' ' ' MET . 9.6 ptpp? 48.82 45.73 22.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 1.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.64 144.45 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 1.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.3 mtm -74.55 134.25 42.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 1.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -129.7 103.1 6.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -68.39 155.71 39.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.7 mm -121.18 115.78 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 1.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -93.67 140.56 29.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 1.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.73 133.02 37.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.95 14.42 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -177.25 95.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.1 p -39.21 129.92 1.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.41 -172.19 26.22 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.423 1.077 . . . . 1.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.4 m -126.74 151.97 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 0.716 . . . . 1.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.795 HG11 ' H ' ' A' ' 106' ' ' GLY . 13.0 p -50.72 137.88 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.684 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -125.04 -41.49 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.65 132.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 1.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 1.061 HG23 HG22 ' A' ' 153' ' ' VAL . 1.3 mt -98.76 133.64 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.778 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -103.88 -46.13 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.595 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.1 p -71.73 163.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 1.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.421 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.5 OUTLIER -115.4 169.71 8.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 1.0 110.339 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.6 t -83.24 87.81 6.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 1.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 124.84 -5.52 8.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 1.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -80.25 149.82 69.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.429 0.723 . . . . 1.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 156.99 42.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.41 1.742 . . . . 1.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.802 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.8 m -138.83 162.23 28.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 1.004 ' HA ' HG13 ' A' ' 88' ' ' VAL . 9.3 pt-20 -137.89 155.79 48.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.823 ' H ' HG22 ' A' ' 88' ' ' VAL . 20.5 t80 -57.47 139.52 53.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 11.9 t0 81.26 -2.53 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 109.345 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 147' ' ' GLU . 7.2 tm-20 -92.74 137.03 24.33 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 1.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.2 Cg_endo -75.01 156.97 42.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.462 1.77 . . . . 1.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 64.1 mt -119.93 -80.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 1.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 1.061 HG22 HG23 ' A' ' 138' ' ' ILE . 40.4 t -117.24 137.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.891 HG13 ' CG1' ' A' ' 82' ' ' ILE . 6.5 t -93.83 122.76 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 1.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 155' ' ' ILE . 15.7 mm -114.91 163.95 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 109.19 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.505 ' CB ' ' CD ' ' A' ' 136' ' ' LYS . 3.2 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 1.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.8 t60 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.58 116.18 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 1.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.758 HG12 HD12 ' A' ' 152' ' ' LEU . 51.2 t -83.01 119.98 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 1.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -111.79 128.1 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 1.0 110.231 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.707 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -50.2 106.36 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.056 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.4 8.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 1.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.6 ptp -166.45 134.48 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 1.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 148' ' ' PHE . 25.8 t -62.3 138.04 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.75 -145.99 9.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 1.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 23.6 m -121.09 121.16 37.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 1.0 110.344 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.595 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 10.1 t80 -85.97 132.22 34.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 48.5 m-85 -128.84 142.91 50.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.069 . . . . 1.0 110.997 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.545 ' HD3' HG21 ' A' ' 138' ' ' ILE . 23.4 mmm-85 -92.8 -15.71 26.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 1.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.945 HG22 ' HA ' ' A' ' 101' ' ' ALA . 66.5 p -132.04 155.46 81.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 110.405 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -29.3 8.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 1.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -142.65 178.67 1.41 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 1.0 109.966 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.12 -48.31 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 1.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -95.71 43.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 1.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.51 148.74 49.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 1.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.34 169.61 2.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 1.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.945 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -87.48 133.28 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 1.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.936 ' CE1' HG21 ' A' ' 114' ' ' THR . 10.0 m-85 -52.5 -41.12 63.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 pp -141.69 108.59 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 1.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -87.53 126.64 35.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 1.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.627 HG22 HD11 ' A' ' 138' ' ' ILE . 56.1 t -40.29 116.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.666 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 115.03 9.1 13.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 1.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -115.42 168.08 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 1.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.81 175.58 5.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 1.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.789 HG21 HD21 ' A' ' 115' ' ' LEU . 27.3 m -150.74 142.64 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 1.0 109.245 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -125.93 148.16 49.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.42 108.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.59 2.85 12.93 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.115 . . . . 1.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.1 136.47 47.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 1.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.936 HG21 ' CE1' ' A' ' 102' ' ' PHE . 87.2 m -62.71 141.38 58.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.789 HD21 HG21 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -112.73 -32.92 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 1.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 30.0 p -179.98 -165.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 108.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.506 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.9 mt -138.92 155.76 27.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.504 ' CG2' HD11 ' A' ' 127' ' ' ILE . 59.4 t -135.48 122.98 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -96.44 122.22 39.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 1.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -165.36 171.77 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 15.5 ptm 42.54 45.93 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 1.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 41.61 51.64 3.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 1.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.15 155.38 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 1.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.6 mtm -83.47 144.58 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 1.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -139.42 93.06 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 1.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -64.15 157.17 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 1.0 110.259 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.504 HD11 ' CG2' ' A' ' 118' ' ' VAL . 4.5 mm -117.3 115.99 50.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 1.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.32 126.15 42.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 1.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.787 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -40.44 133.15 1.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 1.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.69 15.95 14.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 1.0 109.208 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 7.9 tttm -174.28 89.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' LYS . 82.8 p -39.4 138.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 1.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 178.12 -175.12 47.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 1.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.444 ' HB ' ' CG ' ' A' ' 156' ' ' GLU . 0.9 OUTLIER -113.4 160.27 18.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 0.781 . . . . 1.0 110.371 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.666 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.0 p -50.79 161.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 1.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.554 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -146.72 -48.11 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.61 133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.85 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -105.87 121.9 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.817 HD21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -91.09 -40.37 11.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 1.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 91' ' ' PHE . 9.4 p -87.05 139.42 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 1.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 144' ' ' GLN . 3.2 pt-20 -103.28 149.33 24.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 110.242 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.2 p -49.25 99.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 1.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 123.85 -35.56 3.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 1.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 141' ' ' GLU . 0.7 OUTLIER -52.64 134.9 45.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 1.0 110.364 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.4 Cg_endo -74.99 157.78 42.63 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.528 1.804 . . . . 1.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.0 m -136.95 157.89 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 1.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 1.9 tt0 -127.54 167.95 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 110.25 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.662 ' H ' HG22 ' A' ' 88' ' ' VAL . 21.3 t80 -65.22 128.41 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 84.31 3.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.476 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 57.4 mm-40 -89.03 151.15 46.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 1.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.634 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.95 161.56 38.68 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.486 1.782 . . . . 1.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.758 HD12 HG12 ' A' ' 83' ' ' VAL . 67.6 mt -129.84 -81.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.85 HG22 HG23 ' A' ' 138' ' ' ILE . 12.5 t -134.38 144.28 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 1.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.817 HG23 HD21 ' A' ' 139' ' ' LEU . 67.1 t -97.58 122.97 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -107.8 163.73 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 13.1 pt-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 1.0 110.26 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.611 ' CE1' HD12 ' A' ' 155' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.533 HG13 HG13 ' A' ' 154' ' ' VAL . 2.8 mp -102.49 116.33 45.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 1.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.625 HG12 HD12 ' A' ' 152' ' ' LEU . 21.9 t -73.73 118.39 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 1.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -105.81 123.74 48.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.816 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -43.29 102.5 0.28 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 1.0 109.951 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.5 8.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 1.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 mtp -163.02 126.36 2.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.856 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.9 t -59.98 139.22 19.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.37 -125.67 1.47 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.458 1.099 . . . . 1.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.437 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 87.4 m -126.76 167.42 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 1.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.769 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.9 t80 -139.95 137.68 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.513 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 57.7 m-85 -129.15 157.86 40.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 111.021 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -106.16 -13.65 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 1.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 1.014 HG22 ' HA ' ' A' ' 101' ' ' ALA . 43.5 p -135.39 155.67 78.43 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 1.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.05 20.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 1.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.2 OUTLIER -158.3 172.8 5.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 110.033 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.04 -32.95 4.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 1.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -113.79 23.18 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -101.84 158.8 15.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 1.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 173.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.014 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.51 133.08 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.704 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 16.1 m-85 -54.12 -39.64 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.785 HG21 HD23 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -136.44 117.37 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 1.0 109.386 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 1.4 mt-10 -91.24 110.92 22.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 1.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.444 ' HA ' HG21 ' A' ' 135' ' ' VAL . 96.3 t -40.3 116.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.556 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 102.96 29.81 5.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 1.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -120.86 171.09 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.77 . . . . 1.0 110.35 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.0 127.21 53.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 132' ' ' SER . 29.1 m -124.6 144.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.465 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 6.8 m120 -127.14 147.78 50.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.17 108.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 1.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.67 -15.62 5.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.412 1.07 . . . . 1.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.91 134.05 34.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 1.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.863 HG23 ' CD ' ' A' ' 126' ' ' GLN . 11.3 m -57.46 144.58 36.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 1.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 155' ' ' ILE . 2.7 mt -111.76 -30.43 7.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.481 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.3 p 176.47 -172.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 108.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.704 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 16.9 mm -126.96 159.47 36.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.492 ' CG2' HD11 ' A' ' 127' ' ' ILE . 2.9 t -142.58 128.56 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.097 . . . . 1.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.437 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.5 tt0 -92.18 140.99 29.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 1.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -138.23 -175.96 4.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.7 mmm -43.19 92.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 120' ' ' ALA . 2.9 mtmp? 40.15 48.51 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.3 ttp -157.12 124.43 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 1.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.3 ttm -88.35 136.91 32.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.496 ' N ' HD22 ' A' ' 125' ' ' ASN . 0.9 OUTLIER -128.53 146.37 50.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.863 ' CD ' HG23 ' A' ' 114' ' ' THR . 0.3 OUTLIER -117.81 139.3 51.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.492 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.0 OUTLIER -104.04 117.6 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' ALA . 1.2 pm0 -102.47 126.34 49.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' GLU . . . -40.23 132.93 1.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 1.0 109.37 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.91 11.32 30.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 132' ' ' SER . 18.4 ttmt -176.49 106.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.138 . . . . 1.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 53.6 p -39.1 152.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 109.943 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.32 -173.27 40.94 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.532 1.145 . . . . 1.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.747 ' O ' HG12 ' A' ' 135' ' ' VAL . 3.5 m -133.56 59.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 1.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.747 HG12 ' O ' ' A' ' 134' ' ' THR . 6.7 p 50.67 177.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.68 ' H ' HG22 ' A' ' 135' ' ' VAL . 1.0 OUTLIER -165.3 -50.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 109.364 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.61 136.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.741 HG23 HG22 ' A' ' 153' ' ' VAL . 1.7 mm -98.97 138.76 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.9 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -106.23 -47.68 3.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 1.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 91' ' ' PHE . 7.5 p -72.41 168.41 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.534 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.3 tp10 -117.98 160.96 20.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 1.0 110.244 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.4 t -74.63 102.81 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.513 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 105.98 -5.77 39.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 1.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.467 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -78.32 150.07 76.53 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 1.0 110.35 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -74.95 159.27 41.74 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.517 1.799 . . . . 1.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.769 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.2 m -139.37 157.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 1.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.619 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.8 mt-10 -130.34 155.51 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.856 ' H ' HG22 ' A' ' 88' ' ' VAL . 14.5 t80 -62.45 135.6 57.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 9.2 t70 83.63 -6.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.465 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 29.9 mm-40 -87.6 149.24 45.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.9 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.99 160.43 40.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.422 1.748 . . . . 1.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.816 HD11 ' HA ' ' A' ' 85' ' ' SER . 82.4 mt -132.51 -81.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.573 1.17 . . . . 1.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.741 HG22 HG23 ' A' ' 138' ' ' ILE . 55.5 t -119.6 150.61 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.876 HG23 HD21 ' A' ' 139' ' ' LEU . 43.6 t -116.59 131.3 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 109.361 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 1.07 HD11 HD21 ' A' ' 115' ' ' LEU . 24.9 mt -124.97 164.24 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.3 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 t60 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.785 ' CD1' HG13 ' A' ' 154' ' ' VAL . 6.2 mm -132.15 115.79 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 1.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 155' ' ' ILE . 57.8 t -81.14 116.42 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 1.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -105.11 125.09 50.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.426 1.078 . . . . 1.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.838 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -45.46 105.88 0.5 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 1.0 110.05 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.6 8.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 1.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.05 132.84 5.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.824 HG22 ' H ' ' A' ' 148' ' ' PHE . 2.9 t -66.5 140.3 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.29 -122.69 1.18 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 1.0 111.065 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 91' ' ' PHE . 98.7 m -129.14 169.0 15.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 1.0 110.385 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.791 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.7 t80 -139.61 135.62 33.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 69.0 m-85 -128.42 159.73 34.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.463 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 5.0 mmm-85 -109.2 -14.23 14.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 1.0 110.333 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.971 HG22 ' HA ' ' A' ' 101' ' ' ALA . 63.2 p -132.99 155.42 81.16 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 1.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -28.69 8.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.577 1.83 . . . . 1.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -144.58 178.65 1.38 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 1.0 110.018 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.96 -50.86 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.459 1.768 . . . . 1.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -93.92 45.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.86 165.8 18.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 1.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -75.79 169.05 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 1.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.971 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.87 133.13 34.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 1.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.925 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.4 m-85 -54.83 -39.95 69.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.446 1.091 . . . . 1.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 103' ' ' ILE . 5.8 tt -140.31 100.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.503 ' HG2' ' HB3' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -85.79 125.91 33.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.413 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.4 t -39.7 116.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.7 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 108.69 22.87 6.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.59 1.181 . . . . 1.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.8 164.55 21.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 0.818 . . . . 1.0 110.271 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 109' ' ' VAL . 55.7 tttm -113.8 167.93 10.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 34.7 m -148.21 148.99 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 1.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.2 m-80 -127.45 146.65 50.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.45 1.094 . . . . 1.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.479 HG22 ' C ' ' A' ' 130' ' ' ASP . 3.1 t -39.91 108.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 1.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.25 -16.18 7.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.424 1.078 . . . . 1.0 111.048 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.54 138.11 31.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 0.795 . . . . 1.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.925 HG21 ' CE1' ' A' ' 102' ' ' PHE . 90.5 m -58.61 141.69 51.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 1.0 110.442 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.818 HD21 ' CG2' ' A' ' 127' ' ' ILE . 0.4 OUTLIER -112.64 -32.64 6.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 115' ' ' LEU . 19.8 p 176.82 -170.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 1.0 108.357 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.47 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.5 mt -133.3 156.82 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.4 t -137.99 133.55 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.4 tt0 -95.25 131.09 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 1.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -169.85 167.09 9.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 1.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.2 ptp 42.51 45.47 3.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 1.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.36 51.68 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.47 154.55 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 111.028 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 mtt -78.0 144.78 36.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 110.964 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.4 97.19 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -69.72 155.12 41.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.818 ' CG2' HD21 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -117.69 117.67 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 1.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -93.68 114.59 26.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.04 133.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.479 ' C ' HG22 ' A' ' 111' ' ' VAL . 31.8 t70 -122.31 11.77 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 132' ' ' SER . 2.2 tttt -154.54 83.11 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 1.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.476 ' H ' HG23 ' A' ' 111' ' ' VAL . 56.0 p -38.84 137.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.94 -175.3 46.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 1.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.9 m -114.64 169.34 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 1.0 110.385 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.7 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.1 p -62.19 159.29 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -145.48 -47.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.365 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 169.91 132.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 1.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.834 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -101.24 132.0 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.862 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -100.17 -46.63 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 91' ' ' PHE . 7.1 p -76.88 153.39 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.17 167.9 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 1.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.0 t -79.87 88.56 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.393 1.058 . . . . 1.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.81 -5.49 7.94 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.575 1.172 . . . . 1.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.469 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -80.43 150.94 71.42 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.505 0.768 . . . . 1.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.4 Cg_endo -75.01 158.44 42.18 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 1.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.791 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.2 m -138.44 158.17 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 1.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.692 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.3 mt-10 -131.91 150.51 52.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.824 ' H ' HG22 ' A' ' 88' ' ' VAL . 8.4 t80 -61.41 136.77 58.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 1.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.8 t70 84.77 -7.65 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.458 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.9 mt-10 -91.43 149.24 39.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.638 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.94 163.21 35.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.539 1.81 . . . . 1.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.838 HD11 ' HA ' ' A' ' 85' ' ' SER . 69.0 mt -132.1 -80.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.834 HG22 HG23 ' A' ' 138' ' ' ILE . 23.1 t -120.22 149.01 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.862 ' CG2' HD21 ' A' ' 139' ' ' LEU . 19.1 t -105.23 119.78 54.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.6 mp -103.1 163.93 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 1.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.897 HG13 HG13 ' A' ' 154' ' ' VAL . 4.3 mp -90.98 120.89 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 1.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG12 HD12 ' A' ' 152' ' ' LEU . 97.6 t -74.66 121.83 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -100.8 115.64 30.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 1.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.856 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -40.6 100.7 0.22 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 1.0 110.03 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 1.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.9 ttt -150.8 123.98 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 1.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.963 HG13 ' HA ' ' A' ' 147' ' ' GLU . 3.4 t -70.75 140.05 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.62 -118.59 0.87 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 69.4 m -124.84 167.84 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 1.0 110.389 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.696 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.9 t80 -140.9 135.7 31.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 1.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.516 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.4 m-85 -127.52 155.28 44.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -103.04 -13.45 16.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 1.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.95 HG22 ' HA ' ' A' ' 101' ' ' ALA . 73.0 p -130.22 155.54 80.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 1.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.442 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -75.02 -23.21 13.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 1.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.479 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -149.14 176.87 2.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.995 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 1.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.55 35.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.23 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.35 146.79 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 1.0 109.354 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -63.91 167.44 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 1.0 109.28 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.95 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -77.4 132.89 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.961 ' CE1' HG21 ' A' ' 114' ' ' THR . 7.4 m-85 -47.87 -42.91 27.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.181 . . . . 1.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' A' ' 102' ' ' PHE . 3.1 mp -138.21 120.51 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 9.9 tp10 -86.57 117.22 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 1.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.706 HG22 HD11 ' A' ' 138' ' ' ILE . 77.0 t -39.74 116.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.79 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 116.4 5.35 16.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -112.62 171.11 7.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 1.0 110.287 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.43 165.36 12.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 1.0 109.256 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.1 137.87 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.447 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 2.3 t-20 -119.6 150.88 39.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.27 109.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.4 -19.82 6.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 1.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.05 136.01 33.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 0.798 . . . . 1.0 109.369 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.961 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.8 m -60.95 155.27 20.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 1.0 110.419 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.553 HD13 ' HB2' ' A' ' 129' ' ' ALA . 2.9 tp -120.02 -41.12 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.499 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 176.97 -173.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.462 HG12 ' CG ' ' A' ' 126' ' ' GLN . 27.2 mt -128.2 158.28 40.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 1.0 109.234 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.506 ' CG2' HD11 ' A' ' 127' ' ' ILE . 25.5 t -139.62 132.27 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.0 tt0 -93.89 130.7 39.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 1.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.96 150.09 27.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 1.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 53.51 19.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.39 41.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -151.86 146.49 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 1.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 mtm -81.92 131.94 35.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.972 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -132.01 110.03 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.462 ' CG ' HG12 ' A' ' 117' ' ' ILE . 12.4 mt-30 -73.54 154.27 39.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 1.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.506 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.8 mt -121.22 116.56 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -93.11 129.12 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 1.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.553 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -48.37 133.08 16.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 1.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -121.39 17.78 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 1.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -168.61 88.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.447 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 83.0 p -39.18 137.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -166.24 -172.14 33.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.092 . . . . 1.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.462 HG22 ' HG2' ' A' ' 156' ' ' GLU . 0.9 OUTLIER -126.63 141.42 51.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 1.0 110.396 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.79 HG11 ' H ' ' A' ' 106' ' ' GLY . 13.3 p -40.14 159.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 1.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.59 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 2.4 tptp -149.65 -45.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.452 1.095 . . . . 1.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.46 132.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.831 HG23 HG22 ' A' ' 153' ' ' VAL . 0.2 OUTLIER -102.2 125.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.917 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -92.29 -44.16 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 1.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.643 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.6 p -79.92 156.93 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -112.23 173.52 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 1.0 110.254 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.8 t -80.42 97.51 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 1.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.98 -5.6 23.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 1.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.99 150.28 80.91 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 1.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.5 Cg_endo -74.99 161.33 38.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 1.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.696 HG11 ' HB2' ' A' ' 91' ' ' PHE . 15.8 m -143.03 157.58 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.963 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -136.97 159.11 42.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 110.288 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.583 ' N ' HG22 ' A' ' 88' ' ' VAL . 16.8 t80 -60.85 136.92 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 111.057 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 82.69 -6.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.389 1.056 . . . . 1.0 109.351 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 3.3 tm-20 -88.32 138.8 30.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.615 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.93 155.2 43.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.434 1.755 . . . . 1.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.856 HD11 ' HA ' ' A' ' 85' ' ' SER . 59.8 mt -117.94 -81.38 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.831 HG22 HG23 ' A' ' 138' ' ' ILE . 21.1 t -119.74 138.25 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 1.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.917 HG23 HD21 ' A' ' 139' ' ' LEU . 36.1 t -96.59 129.24 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 1.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 135' ' ' VAL . 9.2 mm -118.7 163.85 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.641 -0.503 . . . . 1.0 109.641 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.53 HG13 HG13 ' A' ' 154' ' ' VAL . 1.8 mp -96.09 124.61 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 1.0 109.278 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 152' ' ' LEU . 40.0 t -83.07 135.06 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.617 1.198 . . . . 1.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.85 126.52 47.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 1.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.918 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -39.1 99.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 110.021 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 1.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.16 112.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.817 HG22 ' HA ' ' A' ' 147' ' ' GLU . 46.5 t -50.05 137.92 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 1.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.21 -134.02 3.22 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.524 1.14 . . . . 1.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 11.5 m -125.34 122.07 35.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 0.747 . . . . 1.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.4 t80 -88.98 130.66 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 1.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 52.3 m-85 -126.7 144.08 51.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.593 ' HD3' HG21 ' A' ' 138' ' ' ILE . 28.0 mmm-85 -91.81 -17.76 24.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 1.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.949 HG22 ' HA ' ' A' ' 101' ' ' ALA . 73.4 p -132.64 155.44 81.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.54 13.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 1.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.32 170.74 7.2 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.86 13.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.428 1.751 . . . . 1.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -113.88 32.5 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 1.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.7 143.8 49.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 1.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -51.22 -179.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.949 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -100.43 133.12 45.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.922 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.0 m-85 -55.16 -39.84 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 1.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.538 HD13 ' CG1' ' A' ' 109' ' ' VAL . 1.9 tp -137.91 106.93 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 2.4 tt0 -90.99 123.16 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 1.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.674 HG22 HD11 ' A' ' 138' ' ' ILE . 60.7 t -40.11 116.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.709 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.57 23.85 6.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 1.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.85 165.08 22.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 1.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -108.38 175.22 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 1.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.538 ' CG1' HD13 ' A' ' 103' ' ' ILE . 15.5 m -150.45 140.04 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -118.06 142.75 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 1.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.56 109.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 1.0 109.26 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.47 4.8 10.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 1.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.42 135.6 47.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 1.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.922 HG21 ' CE1' ' A' ' 102' ' ' PHE . 85.8 m -57.81 141.33 49.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.076 HD21 HG22 ' A' ' 127' ' ' ILE . 3.9 pp -113.46 -32.54 6.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.67 -168.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 1.0 108.322 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.779 HG23 ' O ' ' A' ' 125' ' ' ASN . 4.9 mt -135.96 145.62 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 1.0 109.323 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.4 120.72 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -98.44 126.12 43.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 1.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.62 175.96 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 1.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.5 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 23.0 ptm 42.45 46.41 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 41.95 51.5 4.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 24.9 tpp -171.16 144.97 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.6 131.6 37.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 1.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.779 ' O ' HG23 ' A' ' 117' ' ' ILE . 30.1 m-80 -125.16 151.3 45.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 1.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -107.52 153.41 22.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 1.076 HG22 HD21 ' A' ' 115' ' ' LEU . 4.8 mm -114.89 116.53 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -95.65 122.25 38.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 1.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.45 133.16 1.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 1.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.463 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 47.4 t0 -117.14 14.53 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 1.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 130' ' ' ASP . 3.1 mptt -163.33 83.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 27.2 p -39.34 144.77 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 1.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 169.31 -173.1 43.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 1.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.497 HG22 ' N ' ' A' ' 135' ' ' VAL . 4.0 m -108.84 170.41 8.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 1.0 110.411 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.709 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.0 p -61.09 152.41 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.482 1.113 . . . . 1.0 109.369 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.642 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -133.99 -47.52 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 1.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.56 133.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.872 HG23 HG22 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -102.58 130.71 52.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 1.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -101.27 -45.28 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 1.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.4 p -75.29 140.04 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -100.99 134.12 44.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 110.297 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.9 p -44.43 95.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 1.0 109.963 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 131.6 -34.34 2.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 1.0 110.99 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.95 145.86 78.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 1.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.31 27.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 1.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.57 HG11 ' HB2' ' A' ' 91' ' ' PHE . 16.5 m -148.77 163.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.817 ' HA ' HG22 ' A' ' 88' ' ' VAL . 1.2 pt-20 -146.5 168.75 20.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 2.8 t80 -62.81 135.6 57.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.32 -7.69 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 1.0 109.343 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 151' ' ' PRO . 0.0 OUTLIER -86.41 143.39 36.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 1.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.636 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.95 158.46 42.36 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.57 1.826 . . . . 1.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.918 HD11 ' HA ' ' A' ' 85' ' ' SER . 92.8 mt -126.01 -80.27 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 1.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.872 HG22 HG23 ' A' ' 138' ' ' ILE . 6.8 t -133.83 139.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.204 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.633 HG23 HD21 ' A' ' 139' ' ' LEU . 17.4 t -91.56 123.99 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -114.92 161.35 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 1.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 14.4 tt0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 1.0 110.283 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.764 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.599 HG13 HG13 ' A' ' 154' ' ' VAL . 3.8 mp -85.05 117.0 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.764 HG22 ' CE1' ' A' ' 81' ' ' HIS . 8.0 t -66.77 117.17 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 1.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.07 118.84 33.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 1.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.73 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -44.68 103.28 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 110.021 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 0.51 8.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.785 . . . . 1.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.18 139.34 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 1.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.8 t -74.83 142.17 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 1.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.26 -121.48 1.07 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.103 . . . . 1.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 91' ' ' PHE . 52.8 m -130.92 170.85 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 1.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.756 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.3 t80 -138.21 144.31 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.3 m-85 -138.73 158.85 43.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 1.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.781 ' HD2' HG21 ' A' ' 138' ' ' ILE . 5.0 mtp180 -114.32 -16.98 11.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 1.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.996 HG22 ' HA ' ' A' ' 101' ' ' ALA . 82.5 p -133.57 155.23 80.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 110.418 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.72 19.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.469 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -152.54 176.1 2.58 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 1.0 110.023 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 1.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.38 26.26 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 1.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.6 158.68 16.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.324 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -64.47 167.2 7.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.996 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -95.52 135.21 37.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 1.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.917 ' CE1' HG21 ' A' ' 114' ' ' THR . 9.1 m-85 -53.85 -41.27 67.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 1.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.686 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -132.88 118.59 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.89 116.3 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -40.3 116.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 1.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.471 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 107.99 23.66 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 1.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.25 166.05 20.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 0.778 . . . . 1.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 7.3 ttpt -109.16 167.13 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.636 HG21 HD11 ' A' ' 115' ' ' LEU . 15.4 m -145.17 147.8 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.607 1.192 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.3 m-80 -123.04 141.79 51.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 1.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.36 108.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.87 -7.29 6.89 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.451 1.095 . . . . 1.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.87 138.52 40.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.797 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.917 HG21 ' CE1' ' A' ' 102' ' ' PHE . 86.6 m -59.1 141.73 53.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.636 HD11 HG21 ' A' ' 109' ' ' VAL . 4.3 tp -113.48 -32.22 6.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 1.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.7 p -179.71 -162.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 108.312 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.514 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mt -143.85 158.7 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.516 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.2 t -144.4 129.27 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -87.25 138.03 31.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 1.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -161.11 148.15 15.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 89.6 mtp 54.43 19.9 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 1.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 38.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.9 tpp -152.88 136.98 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 1.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -70.07 134.41 48.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 1.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -131.51 104.89 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.726 ' CG ' HG23 ' A' ' 114' ' ' THR . 29.8 tt0 -67.55 148.02 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.516 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.9 mt -116.74 116.44 52.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -90.82 137.84 32.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 1.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.12 133.16 19.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.13 14.24 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.229 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -179.23 99.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.7 p -39.29 146.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 110.012 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.62 -173.06 45.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 1.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 135' ' ' VAL . 31.5 m -115.85 171.65 7.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 1.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.511 ' N ' HG22 ' A' ' 134' ' ' THR . 9.4 p -60.43 164.85 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.367 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.735 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -147.83 -50.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.563 1.164 . . . . 1.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.17 140.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 1.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.988 HD13 HG13 ' A' ' 153' ' ' VAL . 4.4 mm -106.07 115.75 48.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 1.038 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -86.92 -44.91 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 1.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.635 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.7 p -88.75 138.64 18.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -89.05 176.49 6.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 1.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.5 t -83.56 87.73 7.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 1.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 130.78 -5.39 5.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.406 1.066 . . . . 1.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -80.01 149.82 70.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 1.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.5 Cg_endo -74.94 161.33 39.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 1.0 111.048 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.756 HG11 ' HB2' ' A' ' 91' ' ' PHE . 11.7 m -139.23 156.96 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.59 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -133.52 152.61 51.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 110.265 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.851 ' H ' HG22 ' A' ' 88' ' ' VAL . 16.0 t80 -61.99 135.86 57.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 1.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.1 t70 82.94 -5.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 28.0 mm-40 -90.73 150.23 41.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.692 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.01 151.79 39.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.56 1.821 . . . . 1.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 85' ' ' SER . 70.4 mt -119.04 -81.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.988 HG13 HD13 ' A' ' 138' ' ' ILE . 59.5 t -123.84 153.61 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 1.038 HG23 HD21 ' A' ' 139' ' ' LEU . 36.4 t -107.4 121.91 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -111.92 164.23 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 1.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.506 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.6 tt0 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.407 ' NE2' HG22 ' A' ' 83' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.603 -0.518 . . . . 1.0 109.603 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.967 HD13 HG13 ' A' ' 154' ' ' VAL . 9.5 mm -88.87 122.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.407 HG22 ' NE2' ' A' ' 81' ' ' HIS . 48.9 t -88.2 116.35 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 1.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -102.73 115.87 31.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 1.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.428 ' CB ' HD21 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -40.38 107.16 0.45 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 110.024 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.53 8.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 1.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 ptp -159.44 145.1 15.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 1.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.893 HG13 ' HA ' ' A' ' 147' ' ' GLU . 2.7 t -81.47 140.46 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.15 -125.2 1.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.435 1.084 . . . . 1.0 111.003 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.572 ' O ' HG13 ' A' ' 118' ' ' VAL . 51.7 m -124.66 167.06 15.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 1.0 110.341 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.743 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.7 t80 -140.58 128.03 21.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 1.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 79.3 m-85 -120.03 168.55 11.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.791 ' NH1' HD12 ' A' ' 138' ' ' ILE . 7.9 mtm180 -114.0 -13.73 12.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 1.0 110.233 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.967 HG22 ' HA ' ' A' ' 101' ' ' ALA . 74.5 p -133.47 155.46 80.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 110.399 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.21 15.03 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.428 1.752 . . . . 1.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.485 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -150.0 177.58 1.79 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 1.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -98.12 36.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 1.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.45 156.77 26.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -65.51 166.84 9.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.967 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.38 133.23 34.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 1.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.847 ' CE1' HG21 ' A' ' 114' ' ' THR . 19.3 m-85 -56.34 -39.1 72.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 1.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.15 111.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.49 129.55 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 1.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.417 ' HA ' HG21 ' A' ' 135' ' ' VAL . 51.8 t -40.36 116.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.636 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 110.81 24.83 5.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.132 . . . . 1.0 111.083 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -129.79 167.47 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 0.751 . . . . 1.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 172.94 6.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 1.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.682 HG21 HD11 ' A' ' 115' ' ' LEU . 15.8 m -149.17 143.2 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 1.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -121.61 145.62 47.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.27 108.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 1.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.19 25.17 4.22 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 1.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.58 135.0 48.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 1.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.847 HG21 ' CE1' ' A' ' 102' ' ' PHE . 60.1 m -58.47 142.31 49.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 1.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 109' ' ' VAL . 2.8 tp -112.32 -32.29 6.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.445 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.5 p 175.95 -173.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.555 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.6 mt -126.13 161.2 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 1.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 90' ' ' THR . 9.9 t -147.82 130.66 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.417 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.7 tt0 -87.22 126.62 34.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.514 ' HB3' ' ND2' ' A' ' 125' ' ' ASN . . . -155.75 149.25 24.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.6 mmm 47.12 42.31 12.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 121' ' ' MET . 17.3 ptmt 48.99 45.87 22.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.231 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.65 139.6 10.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 1.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.6 mmm -67.18 137.17 56.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 1.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.514 ' ND2' ' HB3' ' A' ' 120' ' ' ALA . 43.4 m-80 -132.52 105.66 7.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.814 ' CG ' HG23 ' A' ' 114' ' ' THR . 15.3 tt0 -75.59 147.42 39.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 1.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.499 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.4 mt -111.04 116.22 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -92.6 125.24 37.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.61 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.45 133.01 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.02 14.62 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 1.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 8.7 tttt -173.72 92.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 1.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' LYS . 70.4 p -39.23 142.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 1.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 173.76 -173.21 45.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.578 1.173 . . . . 1.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -116.15 167.31 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 1.0 110.44 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.636 HG11 ' H ' ' A' ' 106' ' ' GLY . 11.8 p -52.83 162.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 1.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -149.34 -48.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 1.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.67 133.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.948 HG23 HG22 ' A' ' 153' ' ' VAL . 1.8 mt -105.04 115.65 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 1.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.936 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -81.69 -45.24 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 1.0 109.362 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.654 HG13 ' CD1' ' A' ' 91' ' ' PHE . 7.9 p -90.83 139.14 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.458 ' HG2' ' CG ' ' A' ' 144' ' ' GLN . 9.6 pt-20 -94.22 173.91 7.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.86 97.95 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 1.0 109.989 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.1 -36.73 2.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 1.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.458 ' CG ' ' HG2' ' A' ' 141' ' ' GLU . 2.9 mt-30 -48.92 151.2 2.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.583 0.814 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -75.03 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 1.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.743 HG11 ' HB2' ' A' ' 91' ' ' PHE . 22.5 m -150.45 157.26 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.06 . . . . 1.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.893 ' HA ' HG13 ' A' ' 88' ' ' VAL . 44.2 tt0 -139.47 149.38 43.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 1.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.876 ' H ' HG22 ' A' ' 88' ' ' VAL . 13.1 t80 -60.23 138.49 57.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 1.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.5 t70 83.84 -6.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.409 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.2 mt-10 -95.06 147.35 32.89 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 1.0 110.222 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.56 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.91 154.71 43.14 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.485 1.781 . . . . 1.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.616 HD13 ' HD2' ' A' ' 91' ' ' PHE . 19.7 mt -117.48 -71.78 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 109.219 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.948 HG22 HG23 ' A' ' 138' ' ' ILE . 43.6 t -134.82 144.56 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.967 HG13 HD13 ' A' ' 82' ' ' ILE . 22.0 t -100.94 122.09 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.9 mp -108.63 163.08 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.491 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.4 pt-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 1.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.773 ' CG1' HG13 ' A' ' 154' ' ' VAL . 96.7 mt -84.26 135.46 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.222 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.3 t -106.39 118.04 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 1.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' SER . 9.8 mtt180 -95.67 126.39 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 110.384 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.574 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -38.69 104.84 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.026 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 0.46 8.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.441 1.758 . . . . 1.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.28 126.63 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 1.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.901 HG22 ' H ' ' A' ' 148' ' ' PHE . 17.6 t -64.43 138.37 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.01 -124.04 1.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.573 1.17 . . . . 1.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 91' ' ' PHE . 41.4 m -128.68 167.47 17.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 0.776 . . . . 1.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.573 ' CD2' HG11 ' A' ' 140' ' ' VAL . 3.0 t80 -137.3 134.76 36.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.1 m-85 -126.2 155.74 41.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.417 ' CG ' ' HB2' ' A' ' 142' ' ' SER . 10.0 mmm180 -104.48 -13.72 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 1.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.925 HG22 ' HA ' ' A' ' 101' ' ' ALA . 38.8 p -134.71 155.96 79.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 1.0 110.446 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.4 11.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 1.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.461 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -144.88 175.64 2.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 109.97 179.923 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 -38.29 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -107.89 44.62 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 1.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.08 160.16 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 1.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 164.86 24.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.925 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -78.15 132.94 37.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.587 ' CE1' HG21 ' A' ' 114' ' ' THR . 12.1 m-85 -49.97 -40.85 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 1.0 111.059 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -134.93 127.69 48.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 1.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -97.86 112.46 24.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' GLU . 65.1 t -40.5 116.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 1.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.541 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 103.47 32.04 4.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 1.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -122.23 171.13 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 1.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -107.73 118.66 37.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 109.245 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 132' ' ' SER . 27.9 m -116.97 138.06 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 1.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 13.7 m120 -131.11 153.13 49.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.2 t -40.32 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.51 -23.45 4.26 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.503 1.127 . . . . 1.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.27 138.43 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 0.792 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.617 HG23 ' CG ' ' A' ' 126' ' ' GLN . 32.2 m -64.53 150.58 46.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.4 tp -115.09 -36.79 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.558 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.75 -169.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 108.314 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.747 HD13 ' HA ' ' A' ' 126' ' ' GLN . 16.1 mm -131.42 159.04 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.508 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.0 t -144.55 130.65 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -88.59 135.19 33.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 1.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -177.32 169.65 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.2 ptp 42.52 45.76 3.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.128 . . . . 1.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.1 mttt 41.47 51.78 3.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.83 161.56 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.8 mtm -79.16 142.07 36.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -133.81 99.75 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.747 ' HA ' HD13 ' A' ' 117' ' ' ILE . 0.2 OUTLIER -72.8 144.54 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.268 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.508 HD11 ' CG2' ' A' ' 118' ' ' VAL . 3.2 mt -108.34 115.86 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 1.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -90.72 134.94 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 1.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.45 133.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 1.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 131' ' ' LYS . 41.2 m-20 -110.33 14.87 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 130' ' ' ASP . 9.2 mttt 169.67 104.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 52.5 p -39.08 149.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 1.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.55 -173.17 40.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 1.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.746 ' O ' HG12 ' A' ' 135' ' ' VAL . 18.4 m -131.91 57.49 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 1.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.746 HG12 ' O ' ' A' ' 134' ' ' THR . 6.4 p 50.56 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.692 ' H ' HG22 ' A' ' 135' ' ' VAL . 6.9 tttt -165.94 -50.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.857 ' C ' HD13 ' A' ' 138' ' ' ILE . . . 173.58 137.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 1.048 HG23 HG22 ' A' ' 153' ' ' VAL . 1.0 OUTLIER -103.88 146.47 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 1.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.798 HD23 ' C ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -116.63 -49.14 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.573 HG11 ' CD2' ' A' ' 91' ' ' PHE . 12.1 p -66.03 169.66 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.519 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.1 OUTLIER -116.95 163.57 16.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 1.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.417 ' HB2' ' CG ' ' A' ' 93' ' ' ARG . 5.8 t -83.0 85.16 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 1.0 109.951 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.07 -5.54 7.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 1.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.46 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -82.76 151.23 64.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 1.0 110.311 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -75.03 167.42 27.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 1.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 145' ' ' PRO . 2.6 m -151.68 158.43 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.157 . . . . 1.0 109.224 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.548 ' HA ' HG13 ' A' ' 88' ' ' VAL . 6.5 pt-20 -143.14 132.97 23.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.901 ' H ' HG22 ' A' ' 88' ' ' VAL . 5.2 t80 -34.25 145.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 1.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 86.16 -12.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.269 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.44 ' HG3' ' CG ' ' A' ' 147' ' ' GLU . 7.9 mm-40 -95.13 142.86 25.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 1.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.775 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.1 Cg_endo -75.02 159.88 40.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 1.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' ' 85' ' ' SER . 76.5 mt -125.22 -81.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 1.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 1.048 HG22 HG23 ' A' ' 138' ' ' ILE . 94.4 t -123.51 137.7 55.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.773 HG13 ' CG1' ' A' ' 82' ' ' ILE . 3.0 t -101.95 135.43 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 156' ' ' GLU . 5.2 mp -113.6 166.07 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.561 1.163 . . . . 1.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.504 ' N ' HG22 ' A' ' 155' ' ' ILE . 9.0 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 1.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.459 ' CD2' ' HB2' ' A' ' 131' ' ' LYS . 3.5 t60 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.634 -0.506 . . . . 1.0 109.634 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.641 HG13 HG22 ' A' ' 154' ' ' VAL . 1.8 mp -100.58 120.21 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.592 HG21 HD23 ' A' ' 115' ' ' LEU . 88.3 t -68.97 129.03 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 1.0 109.383 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -115.57 116.63 28.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 1.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.488 ' HB3' HD21 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -42.64 102.05 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 110.015 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.48 8.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 1.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.39 132.82 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 147' ' ' GLU . 41.5 t -63.16 143.92 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.48 -138.59 5.39 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.534 1.146 . . . . 1.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 7.1 m -124.76 121.99 36.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 1.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.754 ' HD2' HD13 ' A' ' 152' ' ' LEU . 7.1 t80 -87.72 133.91 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 54.9 m-85 -131.48 143.19 50.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.787 ' HD2' HG21 ' A' ' 138' ' ' ILE . 0.4 OUTLIER -99.31 -19.53 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 110.259 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.948 HG22 ' HA ' ' A' ' 101' ' ' ALA . 74.8 p -132.94 153.42 80.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 110.428 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 -17.19 19.67 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 1.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.25 170.64 7.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 1.0 110.045 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -31.04 6.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 1.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.29 42.36 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.59 144.86 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.07 171.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 1.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.948 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -99.31 135.72 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.946 ' CE1' HG21 ' A' ' 114' ' ' THR . 4.2 m-85 -48.91 -43.86 39.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.7 pt -132.13 120.29 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' VAL . 13.9 mt-10 -88.68 112.17 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 1.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.647 ' CG2' HD11 ' A' ' 138' ' ' ILE . 91.9 t -39.92 115.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 1.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.569 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.55 27.22 5.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.0 111.018 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 134' ' ' THR . 6.3 tt0 -121.82 171.12 9.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 1.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -104.38 132.69 50.35 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.439 1.087 . . . . 1.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 132' ' ' SER . 17.0 m -130.71 132.49 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 9.5 t30 -115.01 147.44 40.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 1.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.64 HG23 ' HA ' ' A' ' 130' ' ' ASP . 2.6 p -40.17 109.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 134.28 -31.48 2.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 1.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.86 135.45 38.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 1.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.946 HG21 ' CE1' ' A' ' 102' ' ' PHE . 64.9 m -55.04 144.35 23.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.041 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.2 tp -114.35 -35.07 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.609 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 31.5 p -177.96 -163.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 108.284 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.487 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.0 mt -140.64 156.41 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.598 HG21 HD11 ' A' ' 127' ' ' ILE . 94.2 t -136.97 119.55 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -95.72 125.99 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 123' ' ' MET . . . -155.04 161.61 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mtm 53.42 19.12 1.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 1.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.07 41.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 1.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.444 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 4.8 ptt? -162.03 139.03 8.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 1.0 110.974 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.2 ptp -77.49 144.24 37.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -139.15 105.52 5.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -64.75 147.8 52.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.598 HD11 HG21 ' A' ' 118' ' ' VAL . 5.3 mt -114.94 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.19 132.68 34.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 1.0 110.338 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 1.041 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -52.18 133.04 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.64 ' HA ' HG23 ' A' ' 111' ' ' VAL . 8.6 m-20 -125.17 23.48 7.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 1.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 81' ' ' HIS . 6.3 mttp -169.61 81.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 68.9 p -39.2 147.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 1.0 109.926 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -178.56 -172.31 42.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 1.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.691 ' O ' HG12 ' A' ' 135' ' ' VAL . 1.8 p -128.18 60.21 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 0.807 . . . . 1.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.752 HG22 ' H ' ' A' ' 136' ' ' LYS . 4.4 p 49.03 -177.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 1.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.767 ' HB3' HG12 ' A' ' 154' ' ' VAL . 1.5 tptp -171.1 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.18 135.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 1.0 109.249 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.787 HG21 ' HD2' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -103.23 118.96 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.77 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -87.14 -46.18 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 1.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 91' ' ' PHE . 13.3 p -82.0 138.46 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 144' ' ' GLN . 6.7 pt-20 -100.35 137.56 38.6 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.466 1.104 . . . . 1.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.0 p -42.8 100.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.32 -36.19 2.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 1.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 22.3 tt0 -57.01 140.74 77.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 1.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.5 Cg_endo -74.99 163.58 35.08 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.527 1.804 . . . . 1.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.661 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.2 m -142.21 157.96 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.737 ' HA ' HG22 ' A' ' 88' ' ' VAL . 7.8 mp0 -126.95 168.89 13.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 1.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.545 ' H ' HG22 ' A' ' 88' ' ' VAL . 28.4 t80 -65.68 130.54 43.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.3 t70 82.24 -4.26 1.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 1.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.474 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 1.4 tt0 -80.27 146.3 62.01 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 1.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.581 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.89 151.45 40.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.397 1.735 . . . . 1.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.754 HD13 ' HD2' ' A' ' 91' ' ' PHE . 13.3 mt -119.05 -81.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 1.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.783 HG13 ' HA ' ' A' ' 138' ' ' ILE . 6.0 t -133.36 150.13 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' ' 136' ' ' LYS . 95.4 t -104.36 127.72 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.667 ' CD1' HD21 ' A' ' 115' ' ' LEU . 8.2 mt -119.82 149.37 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 1.0 109.282 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.466 ' HB3' ' CE ' ' A' ' 136' ' ' LYS . 17.5 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 1.0 110.256 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.537 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.105 ' CD1' HG13 ' A' ' 154' ' ' VAL . 11.8 mm -83.5 122.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.537 HG22 ' CE1' ' A' ' 81' ' ' HIS . 85.7 t -89.21 116.49 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 1.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -104.41 124.62 49.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 1.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.704 ' HA ' HD11 ' A' ' 152' ' ' LEU . 6.4 t -40.87 100.85 0.23 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 1.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.39 8.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.761 . . . . 1.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.98 111.32 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 1.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.649 HG22 ' H ' ' A' ' 148' ' ' PHE . 19.2 t -48.63 142.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.8 -135.77 4.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.424 1.077 . . . . 1.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 m -126.27 121.2 31.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 1.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.611 ' HB3' HG21 ' A' ' 140' ' ' VAL . 4.4 t80 -87.35 130.11 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 1.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 45.3 m-85 -124.6 146.96 48.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 1.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -96.6 -17.41 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.971 HG22 ' HA ' ' A' ' 101' ' ' ALA . 70.2 p -131.6 155.44 81.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -23.71 13.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.382 1.727 . . . . 1.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.31 170.81 7.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 109.945 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.01 10.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 1.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.33 45.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.69 147.43 52.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.087 . . . . 1.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -52.97 174.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 1.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.971 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.65 133.09 37.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.938 ' CE1' HG21 ' A' ' 114' ' ' THR . 8.3 m-85 -50.62 -41.85 55.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 1.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.674 HD11 HD12 ' A' ' 115' ' ' LEU . 13.5 mt -130.16 132.82 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 119.51 39.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.6 t -40.42 116.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 1.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.595 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 108.04 30.54 3.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.599 1.187 . . . . 1.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -136.63 158.5 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 1.0 110.289 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -100.95 166.41 10.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 1.0 109.318 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 103' ' ' ILE . 17.4 m -143.55 145.16 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 1.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -130.01 146.49 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 1.0 109.226 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.56 109.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.81 -10.89 6.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.449 1.093 . . . . 1.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.84 138.21 35.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 1.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.938 HG21 ' CE1' ' A' ' 102' ' ' PHE . 74.3 m -65.55 141.41 58.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 1.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.683 HD13 ' HB2' ' A' ' 129' ' ' ALA . 0.7 OUTLIER -112.66 -33.04 6.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 23.2 p 178.97 -170.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 108.299 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.483 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -133.71 156.79 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.662 HG21 HD11 ' A' ' 127' ' ' ILE . 74.1 t -136.29 117.29 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -93.64 126.65 38.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 1.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -150.68 144.07 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.0 109.37 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.3 mtt 48.71 46.78 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.061 . . . . 1.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 121' ' ' MET . 10.7 ptmt 49.77 40.79 21.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 35.8 tpp -146.1 128.15 15.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.465 ' HG2' ' CG2' ' A' ' 117' ' ' ILE . 34.4 ttm -74.9 138.4 42.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -137.29 96.34 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.65 158.34 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.662 HD11 HG21 ' A' ' 118' ' ' VAL . 5.5 mt -123.65 116.05 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -96.41 127.47 42.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.364 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.683 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.42 133.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.169 . . . . 1.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.12 15.75 16.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 1.0 109.234 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -175.0 95.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 1.0 109.32 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.3 p -39.39 150.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.522 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 169.84 -179.41 42.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 1.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.4 p -106.42 -174.31 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 1.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.595 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.3 p -83.23 139.8 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 109.225 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.683 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -120.46 -44.87 2.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.693 ' C ' HD13 ' A' ' 138' ' ' ILE . . . 164.04 139.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.943 HD12 HG13 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -103.84 132.07 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 1.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.912 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -103.15 -40.65 6.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 1.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 91' ' ' PHE . 12.0 p -78.33 157.66 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.25 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.81 151.11 29.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.546 1.154 . . . . 1.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 87.7 p -64.43 83.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 133.57 -12.86 4.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.483 1.115 . . . . 1.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 147.27 88.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 1.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.427 ' C ' HG13 ' A' ' 146' ' ' VAL . 18.4 Cg_endo -74.98 163.69 34.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 1.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.4 m -152.47 163.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.606 ' HA ' HG22 ' A' ' 88' ' ' VAL . 11.6 pt-20 -146.72 173.81 12.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 1.0 110.346 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.649 ' H ' HG22 ' A' ' 88' ' ' VAL . 3.6 t80 -61.88 135.16 57.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.118 . . . . 1.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.94 -10.0 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 13.6 tp10 -83.64 136.49 42.2 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.758 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.0 Cg_endo -75.06 152.14 40.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 1.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 85' ' ' SER . 80.5 mt -119.04 -79.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.943 HG13 HD12 ' A' ' 138' ' ' ILE . 2.9 t -122.54 142.59 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 1.105 HG13 ' CD1' ' A' ' 82' ' ' ILE . 24.3 t -100.79 115.48 42.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 1.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -108.5 163.9 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 1.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.505 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.8 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 1.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.583 -0.525 . . . . 1.0 109.583 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.859 HG13 HG13 ' A' ' 154' ' ' VAL . 2.0 mp -85.41 118.08 31.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.637 1.211 . . . . 1.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.925 HG21 HD13 ' A' ' 115' ' ' LEU . 40.0 t -67.72 122.21 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -116.23 118.72 33.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.445 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -50.56 106.53 0.65 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 1.0 110.064 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 0.58 8.7 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 1.0 111.015 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.01 120.16 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' ' 147' ' ' GLU . 18.1 t -45.93 151.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 160.53 -128.96 2.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 1.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 143' ' ' GLY . 56.7 m -142.96 120.96 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.414 0.714 . . . . 1.0 110.453 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.619 ' HB3' HG21 ' A' ' 140' ' ' VAL . 2.6 t80 -86.01 138.34 32.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 29.3 m-85 -134.6 149.31 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 1.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.53 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 13.9 mmm-85 -95.67 -14.06 23.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 1.0 110.228 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.958 HG22 ' HA ' ' A' ' 101' ' ' ALA . 40.4 p -135.39 155.47 78.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 1.0 110.369 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -22.77 14.61 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.467 1.772 . . . . 1.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -145.31 174.85 3.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.017 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.0 -32.68 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 1.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.63 51.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.52 148.26 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 1.0 109.332 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 1.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.958 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -100.27 137.82 38.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.924 ' CE1' HG21 ' A' ' 114' ' ' THR . 22.1 m-85 -61.66 -38.89 89.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 1.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.621 HD11 HG11 ' A' ' 109' ' ' VAL . 17.6 mt -140.47 133.21 32.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.2 133.78 54.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.12 116.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 1.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.712 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 99.51 48.71 1.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -149.71 155.2 39.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 1.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 109' ' ' VAL . 7.8 tttm -107.16 167.95 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.621 HG11 HD11 ' A' ' 103' ' ' ILE . 18.0 m -147.23 144.7 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.94 142.59 47.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.669 HG23 ' H ' ' A' ' 132' ' ' SER . 3.2 t -40.28 108.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.48 -8.95 8.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 1.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 133.26 37.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 1.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.924 HG21 ' CE1' ' A' ' 102' ' ' PHE . 96.6 m -53.96 141.64 27.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 110.373 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.021 HD21 HG22 ' A' ' 127' ' ' ILE . 2.5 pp -112.89 -32.65 6.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 109.386 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.666 ' O ' HD13 ' A' ' 117' ' ' ILE . 16.9 p -178.76 -164.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 1.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.754 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.3 mm -135.97 161.32 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 1.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.543 HG21 HD11 ' A' ' 127' ' ' ILE . 4.6 t -143.54 119.31 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 1.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.71 140.36 36.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 1.0 110.235 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -164.51 143.86 7.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 1.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.2 mtm 54.73 24.22 5.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.175 . . . . 1.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.4 37.33 1.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 1.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.5 ttm -136.96 145.26 43.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.392 1.057 . . . . 1.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.2 133.62 34.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -134.88 98.77 4.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 1.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.627 ' HG3' HD12 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -71.06 151.34 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 1.021 HG22 HD21 ' A' ' 115' ' ' LEU . 3.0 mt -122.05 115.89 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 1.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -96.6 128.83 43.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 1.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.35 133.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.23 14.99 23.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -174.01 95.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.669 ' H ' HG23 ' A' ' 111' ' ' VAL . 39.9 p -39.23 146.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 1.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 173.36 -172.86 45.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.405 1.066 . . . . 1.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.679 HG22 ' H ' ' A' ' 135' ' ' VAL . 10.7 m -113.78 -177.01 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 0.717 . . . . 1.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.712 HG11 ' H ' ' A' ' 106' ' ' GLY . 12.5 p -72.52 142.22 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 1.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.687 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -124.44 -45.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.14 132.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 1.0 109.337 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.898 HG23 HG22 ' A' ' 153' ' ' VAL . 0.7 OUTLIER -102.29 132.06 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 1.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.27 -42.19 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 91' ' ' PHE . 11.5 p -72.61 137.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 1.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.3 OUTLIER -102.04 131.17 48.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 1.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 60.5 p -44.3 95.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 1.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.621 ' O ' HG23 ' A' ' 90' ' ' THR . . . 133.11 -30.74 3.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 1.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.46 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 8.6 tt0 -57.77 140.87 80.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.3 Cg_endo -75.06 140.53 25.41 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 1.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.752 ' O ' HG13 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -101.84 162.77 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.755 ' HA ' HG22 ' A' ' 88' ' ' VAL . 11.4 mm-40 -143.39 167.84 21.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 1.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 9.0 t80 -61.17 138.02 58.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 1.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 56.67 17.66 3.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 1.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 7.5 tm-20 -90.37 137.02 27.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 1.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.401 ' O ' ' OE1' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -74.97 156.35 43.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 1.0 111.035 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.729 HD12 HG12 ' A' ' 83' ' ' VAL . 60.3 mt -130.35 -81.78 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 1.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.898 HG22 HG23 ' A' ' 138' ' ' ILE . 21.1 t -119.49 154.13 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 1.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.859 HG13 HG13 ' A' ' 82' ' ' ILE . 25.0 t -109.74 118.36 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.8 mp -110.28 163.26 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.6 pt-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 1.0 110.244 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.538 ' CE1' HG23 ' A' ' 83' ' ' VAL . 1.9 p80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.507 HG13 HG13 ' A' ' 154' ' ' VAL . 3.8 mp -94.61 116.4 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.744 HG12 HD12 ' A' ' 152' ' ' LEU . 6.7 t -75.9 119.31 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 1.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.78 127.15 51.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 1.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.892 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -46.59 106.17 0.55 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 1.0 109.993 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 0.71 8.62 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 1.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -162.87 134.03 4.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 1.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.81 HG22 ' H ' ' A' ' 148' ' ' PHE . 13.2 t -67.18 138.53 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.52 -124.37 1.3 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 1.0 110.998 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 143' ' ' GLY . 88.0 m -127.88 164.29 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 1.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.75 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.3 t80 -137.54 122.96 19.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 1.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 61.4 m-85 -116.08 162.8 16.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 1.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -108.71 -13.8 14.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 1.007 HG22 ' HA ' ' A' ' 101' ' ' ALA . 38.3 p -136.69 155.48 76.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 1.0 110.391 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -18.16 18.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 1.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -153.74 176.15 2.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.965 179.941 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 -36.48 2.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 1.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.78 23.65 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 1.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -101.52 158.59 15.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.601 1.188 . . . . 1.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -63.56 168.95 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 1.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.007 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.41 133.34 36.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.096 . . . . 1.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.818 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 28.2 m-85 -59.64 -37.74 79.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 1.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.837 HG21 HD13 ' A' ' 115' ' ' LEU . 1.7 pp -143.59 100.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.84 120.24 24.93 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.476 HG22 HD11 ' A' ' 138' ' ' ILE . 67.5 t -40.17 116.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 1.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.734 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 114.05 5.63 21.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 1.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.58 164.7 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 1.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -113.26 169.85 8.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 1.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.999 HG21 HD21 ' A' ' 115' ' ' LEU . 22.2 m -143.03 144.31 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.482 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 1.2 p30 -118.63 148.62 42.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.473 HG23 ' H ' ' A' ' 132' ' ' SER . 3.2 t -40.18 108.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.371 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.97 10.86 11.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 1.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.0 133.94 53.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 1.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.737 HG23 ' CG ' ' A' ' 126' ' ' GLN . 23.5 m -60.37 143.62 52.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.999 HD21 HG21 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -112.17 -31.09 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.723 ' O ' HD13 ' A' ' 117' ' ' ILE . 1.2 p 177.72 -172.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 1.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.818 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 24.2 mm -123.46 154.21 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 127' ' ' ILE . 25.2 t -134.67 127.89 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.67 136.72 38.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -134.1 -175.94 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.08 . . . . 1.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -42.08 92.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 1.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER 39.97 51.11 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 1.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.68 116.7 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ttt -84.06 132.27 34.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 117' ' ' ILE . 1.1 m-80 -129.3 159.92 34.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.737 ' CG ' HG23 ' A' ' 114' ' ' THR . 31.3 tt0 -128.21 148.88 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.2 mt -105.78 116.29 49.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 1.8 pm0 -101.44 121.89 42.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.857 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -43.46 133.03 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 1.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.5 p30 -112.92 15.49 19.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.0 OUTLIER -175.32 96.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 1.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 82.8 p -39.25 132.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 1.0 109.957 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.74 -171.81 31.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.112 . . . . 1.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.401 ' C ' HD13 ' A' ' 155' ' ' ILE . 21.1 m -126.65 149.36 49.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 0.727 . . . . 1.0 110.45 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.734 HG11 ' H ' ' A' ' 106' ' ' GLY . 14.0 p -41.26 160.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.523 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -151.81 -46.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.555 1.159 . . . . 1.0 109.247 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 174.16 132.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.249 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.739 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.42 112.61 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 1.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.858 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -82.13 -41.28 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.642 HG13 ' CE1' ' A' ' 91' ' ' PHE . 12.7 p -81.43 149.91 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -105.31 158.13 16.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 1.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.66 95.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 124.31 -33.9 3.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.549 1.156 . . . . 1.0 111.106 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.28 151.61 13.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.807 . . . . 1.0 110.299 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.04 167.23 27.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.366 1.719 . . . . 1.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.75 HG11 ' HB2' ' A' ' 91' ' ' PHE . 26.8 m -144.0 157.62 15.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 1.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.469 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.1 mt-10 -133.46 155.2 49.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 110.377 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.81 ' H ' HG22 ' A' ' 88' ' ' VAL . 18.2 t80 -62.93 134.94 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.4 t70 83.51 -5.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 1.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.469 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 49.6 mm-40 -87.77 149.43 45.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 110.244 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.858 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.01 161.36 38.88 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 1.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.892 HD11 ' HA ' ' A' ' 85' ' ' SER . 71.4 mt -132.39 -81.7 0.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 1.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.739 HG22 HG23 ' A' ' 138' ' ' ILE . 6.7 t -123.84 144.29 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 1.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.802 HG23 HD21 ' A' ' 139' ' ' LEU . 89.8 t -105.91 125.91 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.7 mm -109.3 162.27 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.471 ' CB ' ' HG3' ' A' ' 136' ' ' LYS . 2.6 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.821 HG13 HG13 ' A' ' 154' ' ' VAL . 4.2 mp -91.53 130.18 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 1.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.6 t -81.16 119.97 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.075 . . . . 1.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -104.66 112.98 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.694 ' HB3' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -45.48 103.81 0.36 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 1.0 109.986 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.36 8.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 1.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.5 mtt -149.0 134.02 18.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 1.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.787 HG13 ' HA ' ' A' ' 147' ' ' GLU . 10.8 t -74.79 144.6 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.51 -118.95 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 1.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 118' ' ' VAL . 90.9 m -130.82 167.19 19.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 1.0 110.408 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.787 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.0 t80 -138.82 138.14 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 64.3 m-85 -130.62 161.36 31.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 1.0 111.051 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.523 ' HD3' HG21 ' A' ' 138' ' ' ILE . 25.4 mmm-85 -108.78 -13.84 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.966 HG22 ' HA ' ' A' ' 101' ' ' ALA . 49.7 p -133.63 155.46 80.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.83 7.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.564 1.823 . . . . 1.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -142.33 178.0 1.67 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.017 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.97 -45.83 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.429 1.752 . . . . 1.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -99.47 47.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 1.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.05 160.72 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.503 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -71.75 165.07 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 1.0 109.377 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.966 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -84.21 133.21 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 1.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.811 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.0 m-85 -53.93 -40.31 66.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -138.06 103.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 11.1 pt-20 -82.74 118.18 23.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.459 HG22 HD11 ' A' ' 138' ' ' ILE . 94.0 t -40.29 116.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 1.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.676 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 116.43 5.99 15.88 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 1.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.94 171.13 8.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 1.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -115.63 176.8 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 132' ' ' SER . 35.0 m -150.94 146.73 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 0.6 OUTLIER -123.34 146.62 47.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 109.384 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.598 HG22 ' C ' ' A' ' 130' ' ' ASP . 3.2 t -40.2 108.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 1.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.22 -3.53 10.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 1.0 111.044 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.38 135.11 44.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.783 . . . . 1.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.811 HG21 ' CE1' ' A' ' 102' ' ' PHE . 58.0 m -58.27 144.89 39.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 129' ' ' ALA . 3.3 mt -112.85 -34.17 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.564 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 174.89 -173.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 108.328 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.458 HG13 ' CE2' ' A' ' 102' ' ' PHE . 4.6 mt -124.96 158.78 32.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 1.0 109.235 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 127' ' ' ILE . 36.4 t -143.35 125.2 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.3 tt0 -83.76 127.95 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.02 167.48 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 20.8 ptp 42.59 45.6 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 1.0 110.937 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.2 51.69 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 1.0 109.358 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.27 154.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 1.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -78.3 138.52 38.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 111.068 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -130.2 106.92 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.746 ' CG ' HG23 ' A' ' 114' ' ' THR . 13.7 tt0 -79.24 146.96 32.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.491 HD11 HG21 ' A' ' 118' ' ' VAL . 1.7 mt -109.07 116.62 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 1.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -95.7 114.62 26.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 110.315 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.644 ' HA ' HD12 ' A' ' 115' ' ' LEU . . . -40.39 132.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 1.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.598 ' C ' HG22 ' A' ' 111' ' ' VAL . 38.6 m-20 -117.76 14.24 14.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 1.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.5 OUTLIER -164.84 93.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.407 1.067 . . . . 1.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 63.5 p -39.08 138.66 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 1.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -170.05 -172.32 36.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 1.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.476 ' HB ' ' CG ' ' A' ' 156' ' ' GLU . 1.2 m -128.51 149.21 50.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 1.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.676 HG11 ' H ' ' A' ' 106' ' ' GLY . 11.9 p -41.44 161.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.576 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -151.89 -45.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 1.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.48 132.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.708 ' H ' HD12 ' A' ' 138' ' ' ILE . 0.4 OUTLIER -101.6 114.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.926 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -83.76 -42.67 16.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 1.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.593 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.4 p -78.31 159.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 1.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.02 162.25 16.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 1.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.0 t -75.38 92.33 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 119.05 -5.81 13.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.42 1.075 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.82 150.73 72.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 1.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.4 Cg_endo -75.05 159.19 41.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.596 1.84 . . . . 1.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.787 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.4 m -138.82 157.97 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.787 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.3 mt-10 -127.79 162.02 27.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.357 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.752 ' H ' HG22 ' A' ' 88' ' ' VAL . 25.5 t80 -64.56 131.6 47.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 1.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.6 t70 82.32 -4.25 1.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.595 1.184 . . . . 1.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -82.49 141.15 45.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 1.0 110.247 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.707 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.6 Cg_endo -74.88 153.59 42.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 1.0 111.071 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 85' ' ' SER . 82.9 mt -123.29 -81.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.4 1.062 . . . . 1.0 109.361 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 138' ' ' ILE . 4.7 t -115.34 139.55 41.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.926 HG23 HD21 ' A' ' 139' ' ' LEU . 86.3 t -102.89 118.98 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 11.2 mm -104.3 162.5 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.476 ' CG ' ' HB ' ' A' ' 134' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 1.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.567 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 17.4 m-70 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -138.61 115.9 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 1.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.461 HG12 HD12 ' A' ' 152' ' ' LEU . 53.7 t -80.87 117.39 26.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -104.38 119.62 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 1.0 110.354 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.6 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -38.88 99.47 0.19 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 1.0 110.021 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 1.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.2 tpp -159.83 115.21 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 1.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.83 HG13 ' HA ' ' A' ' 147' ' ' GLU . 10.7 t -56.12 145.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.18 -118.51 0.91 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 1.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 98.0 m -130.05 166.53 19.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 1.0 110.339 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.751 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.2 t80 -137.65 133.64 34.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 63.4 m-85 -127.09 153.59 45.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 1.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.685 HH21 ' HB3' ' A' ' 116' ' ' CYS . 0.9 OUTLIER -104.27 -13.97 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.972 HG22 ' HA ' ' A' ' 101' ' ' ALA . 69.5 p -135.38 155.57 78.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -10.54 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 1.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -159.66 174.63 3.81 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.409 1.068 . . . . 1.0 109.97 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.03 -34.5 3.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 1.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.0 19.91 18.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.626 1.204 . . . . 1.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -98.8 150.77 21.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.167 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -52.37 170.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 1.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.972 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -101.5 138.1 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.851 ' CE1' HG21 ' A' ' 114' ' ' THR . 20.2 m-85 -61.88 -38.83 89.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -150.42 103.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -87.71 133.14 33.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 1.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.678 HG22 HD11 ' A' ' 138' ' ' ILE . 62.6 t -40.4 117.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 1.0 109.296 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.728 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.55 25.27 6.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 1.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -124.32 165.36 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 1.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.75 174.67 5.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 1.0 109.223 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.453 ' CG1' HG12 ' A' ' 103' ' ' ILE . 16.0 m -152.4 150.95 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 1.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.442 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.7 m120 -137.01 146.54 45.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 1.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.4 108.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 1.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.27 -15.21 6.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 1.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.17 138.19 34.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.771 . . . . 1.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.851 HG21 ' CE1' ' A' ' 102' ' ' PHE . 94.2 m -53.82 173.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 1.0 110.437 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 129' ' ' ALA . 5.3 tp -136.8 -46.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.685 ' HB3' HH21 ' A' ' 93' ' ' ARG . 14.0 p -175.38 -168.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 108.253 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.422 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.9 mt -132.97 153.38 37.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 1.0 109.271 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 127' ' ' ILE . 43.7 t -133.74 131.74 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -99.61 128.63 45.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 1.0 110.242 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.539 ' HB1' ' SD ' ' A' ' 121' ' ' MET . . . -154.86 149.86 26.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 1.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.539 ' SD ' ' HB1' ' A' ' 120' ' ' ALA . 2.4 mpt? 52.48 25.49 3.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 1.0 111.051 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.58 42.31 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 1.0 109.247 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.9 147.18 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.82 131.39 35.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -132.36 101.2 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 1.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.94 157.75 27.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 118' ' ' VAL . 5.1 mt -128.96 115.88 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 1.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -86.42 153.29 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.509 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -63.46 141.03 58.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 1.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -121.03 21.59 11.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 81' ' ' HIS . 0.1 OUTLIER 173.8 106.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.442 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 84.0 p -50.64 149.12 3.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 1.0 109.95 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.442 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 169.92 -174.76 44.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 1.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 135' ' ' VAL . 12.9 m -116.75 165.62 13.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 1.0 110.406 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.728 HG11 ' H ' ' A' ' 106' ' ' GLY . 14.8 p -52.92 162.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.353 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.664 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -149.01 -49.73 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.242 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.56 133.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 1.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.878 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -106.56 114.28 45.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.789 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -83.19 -42.86 16.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.59 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.5 p -81.8 149.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.27 165.35 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.1 p -72.67 88.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.18 -12.52 6.75 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.465 1.103 . . . . 1.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.47 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -71.32 150.48 94.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 1.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -75.02 164.7 32.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.767 . . . . 1.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.751 HG11 ' HB2' ' A' ' 91' ' ' PHE . 20.7 m -142.41 157.85 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 1.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.83 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.9 mt-10 -135.5 160.07 39.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.737 ' H ' HG22 ' A' ' 88' ' ' VAL . 39.1 t80 -63.75 132.02 49.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 1.0 111.08 179.891 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.93 -10.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 -179.925 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 0.0 OUTLIER -80.72 144.77 56.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 1.0 110.363 179.952 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.694 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.0 Cg_endo -75.06 156.02 42.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.549 1.815 . . . . 1.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.6 HD11 ' HA ' ' A' ' 85' ' ' SER . 36.4 mt -120.87 -80.3 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 1.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.878 HG22 HG23 ' A' ' 138' ' ' ILE . 13.7 t -130.34 138.68 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.664 HG12 ' HB3' ' A' ' 136' ' ' LYS . 71.8 t -97.49 123.34 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -106.56 164.15 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.387 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.502 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.9 tp10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.735 ' CE1' HD12 ' A' ' 155' ' ' ILE . 1.2 p80 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 109.603 -0.517 . . . . 1.0 109.603 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.947 HG13 HG13 ' A' ' 154' ' ' VAL . 2.9 mt -137.4 117.79 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.669 HG23 ' HE1' ' A' ' 81' ' ' HIS . 37.7 t -78.37 121.17 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -109.05 120.39 42.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.554 ' OG ' HG21 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -45.83 103.99 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 1.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.69 8.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.531 1.806 . . . . 1.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.9 mtp -154.91 141.94 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 148' ' ' PHE . 9.4 t -78.91 139.0 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.18 -122.87 1.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 1.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.503 ' O ' HG13 ' A' ' 118' ' ' VAL . 93.7 m -127.07 168.29 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 1.0 110.447 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.777 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.8 t80 -140.32 129.63 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 1.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 77.1 m-85 -123.06 163.77 19.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 1.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.757 HH11 HG21 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -111.7 -13.78 13.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 1.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.903 HG22 ' HA ' ' A' ' 101' ' ' ALA . 26.4 p -136.94 155.37 76.37 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.595 1.184 . . . . 1.0 110.452 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.16 10.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 1.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -145.77 178.7 1.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.0 -39.75 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 1.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -106.8 43.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.14 156.14 35.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -60.91 170.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.903 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -98.36 133.2 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.933 ' CD1' HG21 ' A' ' 114' ' ' THR . 31.4 m-85 -60.01 -37.41 79.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -135.86 94.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.496 ' HG2' ' HB3' ' A' ' 101' ' ' ALA . 2.2 mm-40 -83.33 112.58 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 1.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.495 HG22 HD11 ' A' ' 138' ' ' ILE . 79.4 t -40.53 116.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 1.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.587 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 107.99 17.15 11.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 1.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -120.33 166.93 12.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 1.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -111.05 161.58 15.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 1.0 109.344 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.66 146.23 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 1.0 109.335 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.465 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 3.4 p30 -127.56 146.14 50.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.39 -7.89 9.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 1.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.93 138.49 35.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 1.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.933 HG21 ' CD1' ' A' ' 102' ' ' PHE . 90.7 m -52.29 174.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.511 ' H ' HG22 ' A' ' 114' ' ' THR . 4.5 tp -138.67 -45.98 0.49 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.558 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -176.55 -164.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 108.348 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.607 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.0 mt -135.05 155.03 37.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 109.363 179.882 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 90' ' ' THR . 47.9 t -141.42 126.63 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.417 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.2 tt0 -85.13 126.92 34.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 1.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.95 157.49 29.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 1.8 mtp 46.76 41.14 9.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 121' ' ' MET . 10.8 ptmt 48.64 47.17 20.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 1.0 109.335 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.45 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -166.12 144.78 5.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.979 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ptm -71.42 133.95 46.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 1.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 123' ' ' MET . 11.8 m-80 -128.4 102.59 6.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -64.06 159.09 20.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.8 mm -125.98 115.85 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 109.328 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -93.95 149.87 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -67.12 165.06 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 1.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.14 18.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 10.8 tttt 179.98 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 62.6 p -39.35 146.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 110.025 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.03 -173.45 46.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 1.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 155' ' ' ILE . 1.1 m -122.12 154.45 37.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 1.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.587 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.9 p -45.1 159.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.368 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 18.5 tttt -144.21 -48.77 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 1.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 174.37 132.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 1.0 109.364 -179.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.45 125.51 57.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.889 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -93.16 -42.84 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 109.362 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.55 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.3 p -76.88 165.69 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 1.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.463 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.0 OUTLIER -118.88 166.13 13.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 1.0 110.305 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.64 94.01 5.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.007 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 117.35 -6.53 16.74 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 1.0 111.001 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -79.86 151.28 73.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 1.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.1 Cg_endo -75.01 159.73 40.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 91' ' ' PHE . 4.4 m -139.43 157.14 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.638 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -129.71 155.33 46.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.369 179.935 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.851 ' H ' HG22 ' A' ' 88' ' ' VAL . 10.7 t80 -62.46 135.72 57.56 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.527 1.142 . . . . 1.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.5 t0 84.48 -7.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 10.9 mm-40 -85.51 148.72 50.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 1.0 110.268 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.768 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.0 162.99 36.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 1.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.492 HD12 HG12 ' A' ' 83' ' ' VAL . 29.7 mt -127.93 -80.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 138' ' ' ILE . 5.8 t -131.33 140.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 1.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.947 HG13 HG13 ' A' ' 82' ' ' ILE . 3.5 t -100.22 130.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.735 HD12 ' CE1' ' A' ' 81' ' ' HIS . 19.7 mt -117.15 164.25 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.508 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.3 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 1.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.835 ' CG1' HG13 ' A' ' 154' ' ' VAL . 5.9 mt -94.54 122.55 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.748 HG12 HD12 ' A' ' 152' ' ' LEU . 55.1 t -74.91 117.17 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 1.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -107.28 113.82 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.295 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.502 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -40.83 101.3 0.24 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 1.0 110.036 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 0.42 8.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.585 1.834 . . . . 1.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.2 tpp -154.69 133.97 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.924 HG13 ' HA ' ' A' ' 147' ' ' GLU . 2.8 t -69.91 140.59 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.98 -121.09 1.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 1.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 85.0 m -131.93 165.17 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 1.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.8 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.9 t80 -135.23 131.05 36.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 1.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 57.9 m-85 -124.35 148.97 47.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 1.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.6 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 23.8 mmm-85 -97.59 -13.75 21.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 1.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.944 HG22 ' HA ' ' A' ' 101' ' ' ALA . 21.4 p -136.92 155.59 76.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.12 21.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 1.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.456 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -159.68 175.48 3.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.968 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.09 -32.43 5.29 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 1.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -118.53 35.39 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.53 160.21 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 173.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 109.36 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.944 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -101.56 133.01 46.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.687 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 32.6 m-85 -60.17 -37.35 79.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.514 HG21 ' HA ' ' A' ' 115' ' ' LEU . 1.4 pp -142.36 98.92 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 1.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.89 114.89 20.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.1 t -42.02 116.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 1.0 109.372 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.631 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.95 11.48 16.29 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -115.64 171.17 7.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 1.0 110.314 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 159.16 18.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 109.216 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 132' ' ' SER . 27.4 m -136.77 134.08 48.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 1.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -122.97 150.28 43.19 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.457 1.098 . . . . 1.0 109.217 -179.927 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.58 109.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.12 -14.6 7.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 1.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.14 137.63 32.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.631 HG21 ' CD1' ' A' ' 102' ' ' PHE . 59.5 m -63.3 162.92 11.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 1.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.719 HD23 HG21 ' A' ' 83' ' ' VAL . 1.4 tp -123.46 -43.23 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.267 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.551 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.0 p -176.05 -168.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 1.0 108.259 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 125' ' ' ASN . 16.1 mm -131.1 148.73 32.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.514 1.134 . . . . 1.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.616 ' CG2' HD11 ' A' ' 127' ' ' ILE . 38.9 t -129.26 127.15 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 1.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.15 135.65 41.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 1.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -133.32 -175.96 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.9 mmm -39.92 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 1.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 120' ' ' ALA . 10.3 ptmm? 40.16 54.96 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.99 117.39 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.606 1.191 . . . . 1.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -91.48 134.81 34.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 1.0 111.023 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.74 ' O ' HG23 ' A' ' 117' ' ' ILE . 7.1 m-80 -133.98 162.84 30.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.619 ' CG ' HG23 ' A' ' 114' ' ' THR . 31.5 tt0 -128.68 154.36 46.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 1.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.616 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -111.94 117.16 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -97.56 128.91 44.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 1.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.48 133.02 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -119.1 14.83 13.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.35 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.89 90.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 1.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 85.4 p -39.24 135.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 1.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.87 -173.16 41.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 1.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.4 m -115.18 154.51 28.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 1.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.631 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.4 p -49.73 145.59 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.684 ' HE3' HG12 ' A' ' 154' ' ' VAL . 1.8 ttpp -124.68 -45.54 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.98 133.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.316 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.968 HG23 HG22 ' A' ' 153' ' ' VAL . 1.6 mt -100.23 130.52 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.748 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -99.95 -46.52 5.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 1.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.57 HG11 ' CD2' ' A' ' 91' ' ' PHE . 14.9 p -69.71 167.89 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 1.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.488 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.3 OUTLIER -120.48 160.01 24.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 1.0 110.337 179.958 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.3 p -73.85 89.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 110.011 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 122.49 -10.1 9.25 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 1.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.49 149.19 86.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 1.0 110.285 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.46 43.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 1.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.8 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.9 m -138.82 163.64 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.924 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.4 pt-20 -138.43 163.37 32.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 1.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.859 ' H ' HG22 ' A' ' 88' ' ' VAL . 24.7 t80 -62.75 134.79 56.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.063 . . . . 1.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 11.7 t0 81.73 -3.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 1.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.447 ' HB2' ' CG ' ' A' ' 147' ' ' GLU . 2.5 tm-20 -86.46 139.82 33.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.748 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.02 158.32 42.19 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.473 1.775 . . . . 1.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.748 HD12 HG12 ' A' ' 83' ' ' VAL . 35.2 mt -127.83 -79.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.968 HG22 HG23 ' A' ' 138' ' ' ILE . 5.8 t -124.99 140.62 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 1.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.835 HG13 ' CG1' ' A' ' 82' ' ' ILE . 35.2 t -101.08 130.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.6 mp -121.27 163.73 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 1.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.486 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 6.9 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.601 ' CD2' HG22 ' A' ' 155' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.594 -0.521 . . . . 1.0 109.594 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.6 mp -91.22 116.2 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 1.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.938 HG12 HD12 ' A' ' 152' ' ' LEU . 62.4 t -81.97 121.6 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.421 1.076 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -113.8 128.83 56.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 1.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.812 ' HA ' HD11 ' A' ' 152' ' ' LEU . 13.4 t -47.98 105.26 0.47 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 1.0 109.968 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.53 8.79 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.457 1.767 . . . . 1.0 111.022 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.66 125.78 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 1.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.746 HG22 ' H ' ' A' ' 148' ' ' PHE . 20.9 t -53.7 138.22 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.78 -143.16 7.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 1.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 143' ' ' GLY . 86.6 m -123.9 120.12 31.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 1.0 110.395 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.692 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.2 t80 -86.28 128.52 34.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 40.0 m-85 -121.05 146.01 47.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 1.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.513 ' HD3' HG21 ' A' ' 138' ' ' ILE . 5.9 mmm180 -95.04 -15.06 23.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.964 HG22 ' HA ' ' A' ' 101' ' ' ALA . 68.8 p -130.58 155.51 81.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 110.422 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -74.93 -29.74 8.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.382 1.728 . . . . 1.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.491 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -140.59 177.72 1.86 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 1.0 109.973 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.04 -44.7 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 1.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -99.35 50.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.78 143.91 43.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.401 1.063 . . . . 1.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 168.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.964 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -77.63 132.97 38.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.954 ' CE1' HG21 ' A' ' 114' ' ' THR . 5.5 m-85 -47.51 -43.14 24.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.11 126.44 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 1.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -96.36 115.68 27.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 1.0 110.323 179.936 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.654 HG22 HD11 ' A' ' 138' ' ' ILE . 79.8 t -39.95 116.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 1.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.597 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 114.54 11.54 11.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.45 165.57 13.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 1.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.57 161.39 14.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 133' ' ' GLY . 26.3 m -139.99 141.5 33.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 1.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.408 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 23.5 t-20 -126.52 148.36 49.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.44 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 1.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.65 -15.64 5.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 1.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.84 135.71 33.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 0.798 . . . . 1.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.954 HG21 ' CE1' ' A' ' 102' ' ' PHE . 49.4 m -61.03 149.25 37.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 1.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 115' ' ' LEU . 4.0 tp -116.7 -38.46 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 15.6 p -179.47 -171.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 95' ' ' PRO . 6.0 mt -133.06 158.3 43.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 1.0 109.396 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.543 HG21 HD11 ' A' ' 127' ' ' ILE . 94.2 t -138.29 120.24 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -94.31 125.3 38.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 1.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.78 142.53 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.4 mmm 53.85 29.18 9.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 1.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? 69.09 37.05 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.69 131.31 24.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.2 mtt -78.12 133.22 37.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -134.61 103.35 5.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.288 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.58 158.3 27.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 1.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.543 HD11 HG21 ' A' ' 118' ' ' VAL . 3.3 mt -132.63 115.85 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 1.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -88.11 149.84 23.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 1.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.58 133.13 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.01 17.8 19.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.0 OUTLIER 177.81 90.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 1.0 109.376 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.408 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 87.3 p -39.41 143.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.0 109.967 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.485 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 172.6 -172.94 45.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.102 . . . . 1.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 155' ' ' ILE . 3.2 m -107.66 165.45 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 1.0 110.438 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.597 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.9 p -62.07 147.63 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.514 1.133 . . . . 1.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -126.67 -47.22 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 1.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.81 135.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.759 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -101.9 118.2 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.918 HD21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -88.43 -42.32 12.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 1.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.586 HG13 ' CE1' ' A' ' 91' ' ' PHE . 13.2 p -83.54 148.49 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 1.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.47 161.64 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 1.0 110.345 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.1 p -65.15 99.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 1.0 110.052 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 119.61 -26.46 7.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 1.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.458 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 28.8 tt0 -56.6 140.39 74.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 1.0 110.36 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.5 Cg_endo -75.0 159.83 40.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 1.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.692 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.7 m -141.33 157.05 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.512 ' HG2' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.72 165.58 19.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 110.256 -179.934 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.746 ' H ' HG22 ' A' ' 88' ' ' VAL . 19.8 t80 -64.69 128.97 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 1.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 7.1 t70 84.68 3.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 1.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.478 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 23.4 mm-40 -89.81 150.47 43.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.614 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.04 165.28 31.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 1.0 111.033 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.938 HD12 HG12 ' A' ' 83' ' ' VAL . 80.9 mt -135.05 -81.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.759 HG22 HG23 ' A' ' 138' ' ' ILE . 9.3 t -133.11 149.43 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 1.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.918 HG23 HD21 ' A' ' 139' ' ' LEU . 27.6 t -103.28 127.11 57.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.601 HG22 ' CD2' ' A' ' 81' ' ' HIS . 1.9 mp -116.16 164.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 1.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 1.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 130' ' ' ASP . 1.9 t60 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.931 HG13 HG13 ' A' ' 154' ' ' VAL . 2.7 mp -100.45 118.28 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.77 HG21 HD23 ' A' ' 115' ' ' LEU . 86.4 t -63.97 116.53 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -108.97 103.1 12.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.654 ' HB2' HD11 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -39.56 104.6 0.33 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 1.0 109.935 -179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.53 8.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.369 1.721 . . . . 1.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.5 mtt -148.74 128.73 13.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 1.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.753 HG13 ' HA ' ' A' ' 147' ' ' GLU . 21.0 t -69.92 141.3 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 1.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.95 -123.27 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 1.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.473 ' CA ' HG22 ' A' ' 146' ' ' VAL . 98.8 m -125.28 168.94 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 1.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.837 ' HD2' HD13 ' A' ' 152' ' ' LEU . 4.4 t80 -139.3 139.08 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 1.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.7 m-85 -133.37 150.74 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.819 ' CZ ' HD13 ' A' ' 138' ' ' ILE . 13.5 mmm180 -97.61 -16.41 20.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 1.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.961 HG22 ' HA ' ' A' ' 101' ' ' ALA . 82.4 p -131.99 155.54 81.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 1.0 110.466 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.03 15.22 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.441 1.759 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.79 169.17 9.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 1.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.67 13.55 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 1.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.64 35.94 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.99 148.65 46.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -56.54 170.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 1.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.961 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -88.76 134.48 33.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 1.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.843 ' CE1' HG21 ' A' ' 114' ' ' THR . 10.0 m-85 -53.87 -40.99 67.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 1.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.464 HG23 ' NH2' ' A' ' 93' ' ' ARG . 0.4 OUTLIER -137.16 129.33 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 1.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 2.7 tt0 -106.68 119.64 39.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 1.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . 59.6 t -40.39 116.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.662 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.03 26.19 4.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 1.0 111.063 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.01 161.82 34.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 1.0 110.236 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -104.23 174.63 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 1.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 133' ' ' GLY . 16.8 m -151.09 138.88 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 1.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' VAL . 2.0 t-20 -127.67 148.94 50.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -40.45 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 1.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.21 -6.46 6.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.581 1.176 . . . . 1.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.44 137.77 46.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 0.734 . . . . 1.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.843 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.3 m -59.17 174.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.425 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.77 HD23 HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -136.61 -46.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 1.0 109.359 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -174.53 -163.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 1.0 108.29 179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.461 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.3 mt -138.5 152.63 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 127' ' ' ILE . 16.3 t -135.49 133.15 52.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 1.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.419 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.0 tt0 -95.37 129.87 42.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.02 169.1 8.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.5 ptp 42.53 45.71 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm 41.53 51.84 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.25 157.61 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 1.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttp -80.57 143.02 33.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -137.42 98.45 3.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -68.67 153.55 43.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 1.0 110.31 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 118' ' ' VAL . 4.0 mt -120.69 115.77 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -93.13 146.38 23.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 110.348 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.75 133.13 21.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 1.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.444 ' OD2' ' NE2' ' A' ' 81' ' ' HIS . 2.2 p30 -124.35 15.74 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -173.11 84.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.0 p -39.25 132.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.005 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 109' ' ' VAL . . . -179.72 -173.1 44.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 1.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 135' ' ' VAL . 14.3 m -108.99 170.88 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 1.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.662 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.9 p -64.79 145.56 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.454 1.097 . . . . 1.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.642 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -124.73 -46.86 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 1.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.9 133.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.89 HG23 HG22 ' A' ' 153' ' ' VAL . 1.2 mt -102.06 133.09 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 1.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -104.63 -44.75 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.642 HG13 ' CE1' ' A' ' 91' ' ' PHE . 12.2 p -82.62 141.42 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.8 -179.24 3.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 1.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.6 99.08 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 1.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.51 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 121.97 -29.42 5.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 1.0 111.001 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -52.47 150.16 9.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 1.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.01 175.12 11.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 1.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.643 HG12 ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -148.57 156.54 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 1.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.753 ' HA ' HG13 ' A' ' 88' ' ' VAL . 10.6 tt0 -134.99 170.43 15.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 110.327 179.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.748 ' N ' HG22 ' A' ' 88' ' ' VAL . 32.6 t80 -59.67 137.29 58.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 1.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 55.28 19.27 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 1.0 109.305 179.937 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 36.7 tp10 -80.72 135.15 52.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 1.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.47 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.02 122.89 7.48 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 1.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.837 HD13 ' HD2' ' A' ' 91' ' ' PHE . 23.4 mt -99.64 -77.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.89 HG22 HG23 ' A' ' 138' ' ' ILE . 3.6 t -124.88 139.89 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.931 HG13 HG13 ' A' ' 82' ' ' ILE . 21.0 t -96.38 125.17 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 1.0 109.236 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.468 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.7 mp -113.03 160.76 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 1.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 1.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.406 ' CD2' ' HB2' ' A' ' 131' ' ' LYS . 3.3 t60 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.599 -0.519 . . . . 1.0 109.599 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.924 HG13 HG13 ' A' ' 154' ' ' VAL . 5.0 mp -92.06 129.67 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 1.0 109.26 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.3 t -83.7 120.96 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -99.67 125.29 45.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.72 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -47.23 104.82 0.43 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 109.999 -179.927 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.35 8.98 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.553 1.818 . . . . 1.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.1 tpt -159.96 143.8 14.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.856 HG22 ' H ' ' A' ' 148' ' ' PHE . 7.2 t -79.67 139.12 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.62 -122.12 1.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 1.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 91' ' ' PHE . 97.5 m -127.76 169.55 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.771 . . . . 1.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.784 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.6 t80 -139.93 140.44 36.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 1.0 110.985 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 72.0 m-85 -133.82 150.3 51.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.511 ' HD3' HG21 ' A' ' 138' ' ' ILE . 6.1 mmm180 -94.95 -18.76 20.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.957 HG22 ' HA ' ' A' ' 101' ' ' ALA . 44.7 p -129.27 155.4 80.04 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.471 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -75.02 -28.94 8.71 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.799 . . . . 1.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -141.86 175.05 3.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 1.0 110.065 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 -44.55 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 1.0 111.049 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.47 24.07 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.51 138.49 49.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 1.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -56.97 178.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 1.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.957 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -85.39 133.13 34.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.843 ' CE1' HG21 ' A' ' 114' ' ' THR . 5.3 m-85 -49.6 -42.63 45.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 1.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.873 HD12 HD13 ' A' ' 115' ' ' LEU . 17.4 mt -129.46 121.57 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -90.26 112.84 24.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.484 ' HA ' HG21 ' A' ' 135' ' ' VAL . 55.8 t -40.33 116.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.556 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 103.01 27.35 6.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 1.0 111.063 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 134' ' ' THR . 0.0 OUTLIER -123.98 161.66 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 1.0 110.23 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -98.35 141.46 31.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 1.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 103' ' ' ILE . 17.5 m -138.82 130.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 22.0 m-80 -122.01 155.07 36.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 1.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -40.46 112.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 1.0 109.264 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.14 -23.62 4.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 1.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.11 135.09 37.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.736 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.843 HG21 ' CE1' ' A' ' 102' ' ' PHE . 94.0 m -51.23 174.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.873 HD13 HD12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -136.91 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 1.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.559 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -172.96 -164.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.475 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.3 mt -137.1 152.78 28.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' THR . 54.9 t -135.32 128.81 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 1.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -91.95 128.96 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 1.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -163.3 151.71 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.0 mtp 53.29 21.22 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.95 40.84 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 1.0 109.368 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.6 mmm -149.14 152.5 36.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.93 103.07 15.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -95.25 112.75 24.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 1.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -73.89 143.76 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.6 mm -111.33 115.82 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -90.02 136.47 33.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 1.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.771 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -40.43 133.1 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 1.0 109.23 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -120.06 15.47 12.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 81' ' ' HIS . 3.5 mttp -179.68 91.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 1.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.471 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 56.9 p -39.22 149.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.41 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . 179.04 -173.29 45.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 1.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.749 ' O ' HG12 ' A' ' 135' ' ' VAL . 42.6 m -128.0 65.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 1.0 110.378 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 134' ' ' THR . 6.3 p 50.63 178.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 1.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.68 ' H ' HG22 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -166.6 -48.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.93 133.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 1.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.869 HG23 HG22 ' A' ' 153' ' ' VAL . 2.3 mm -97.22 123.44 49.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 1.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.794 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -93.24 -44.13 8.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.639 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.3 p -86.79 144.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 1.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.92 168.04 11.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 1.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 59.5 p -76.68 90.09 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 1.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.1 -5.43 7.31 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 1.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -79.3 150.13 73.51 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 1.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -74.96 161.21 39.25 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.485 1.781 . . . . 1.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 91' ' ' PHE . 12.4 m -140.54 157.39 24.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.66 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.6 mt-10 -133.04 154.71 50.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.611 1.194 . . . . 1.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.856 ' H ' HG22 ' A' ' 88' ' ' VAL . 16.4 t80 -62.57 135.08 57.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.0 t70 83.16 -5.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.3 mm-40 -89.04 150.11 44.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 1.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.696 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.01 155.29 42.88 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.792 . . . . 1.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.72 HD11 ' HA ' ' A' ' 85' ' ' SER . 78.5 mt -124.57 -81.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.869 HG22 HG23 ' A' ' 138' ' ' ILE . 83.4 t -123.44 152.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 1.0 109.233 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.924 HG13 HG13 ' A' ' 82' ' ' ILE . 23.5 t -113.43 120.37 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 1.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.697 HD11 HD11 ' A' ' 115' ' ' LEU . 2.2 mp -112.36 163.24 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.0 109.286 -179.92 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.9 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 1.0 110.327 179.916 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 t60 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.914 HG13 HG13 ' A' ' 154' ' ' VAL . 4.4 mp -95.04 119.36 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.891 HG21 HD23 ' A' ' 115' ' ' LEU . 55.0 t -72.9 117.29 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 1.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 7.9 mtm-85 -113.05 124.71 53.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 1.143 . . . . 1.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.476 ' CA ' HD11 ' A' ' 152' ' ' LEU . 1.0 OUTLIER -49.27 105.96 0.57 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 1.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.69 8.61 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.419 1.747 . . . . 1.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.85 123.79 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 147' ' ' GLU . 39.6 t -55.62 142.09 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.509 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 162.11 -114.45 0.61 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 1.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.482 ' C ' HG13 ' A' ' 146' ' ' VAL . 89.9 m -141.13 168.61 19.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 1.0 110.378 -179.944 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.601 ' HB3' HG21 ' A' ' 140' ' ' VAL . 2.3 t80 -138.1 144.1 40.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 61.8 m-85 -139.0 154.82 48.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.6 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.7 mmm-85 -101.55 -14.08 17.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 1.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.967 HG22 ' HA ' ' A' ' 101' ' ' ALA . 42.7 p -134.97 155.46 79.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 1.0 110.406 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -25.33 11.86 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.779 . . . . 1.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.35 178.63 1.38 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 1.0 110.059 179.925 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.91 -46.44 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.798 . . . . 1.0 111.054 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -99.46 48.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.01 152.32 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 1.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -61.56 168.33 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 1.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.967 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -91.0 138.2 31.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 1.0 109.373 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.917 ' CE1' HG21 ' A' ' 114' ' ' THR . 19.4 m-85 -60.62 -39.55 88.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 1.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -147.1 101.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 1.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -91.17 135.86 33.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 1.0 110.263 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.427 ' HA ' HG21 ' A' ' 135' ' ' VAL . 56.5 t -39.9 116.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.92 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.588 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.61 28.54 5.36 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 1.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.73 160.47 34.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 0.716 . . . . 1.0 110.258 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.446 ' C ' HG13 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -113.18 171.81 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.918 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.924 HG21 HD11 ' A' ' 115' ' ' LEU . 33.9 m -154.46 147.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.5 t-20 -121.81 147.71 45.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 1.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.35 109.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 1.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.66 -23.42 6.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 1.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 136.09 35.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.917 HG21 ' CE1' ' A' ' 102' ' ' PHE . 95.4 m -54.89 141.48 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 110.331 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.924 HD11 HG21 ' A' ' 109' ' ' VAL . 1.9 tp -113.5 -31.9 6.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.571 1.17 . . . . 1.0 109.284 179.907 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.5 p 179.11 -173.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 108.276 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 125' ' ' ASN . 4.8 mt -129.29 145.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' THR . 6.8 t -125.98 126.5 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 1.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.27 140.49 34.44 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.52 1.137 . . . . 1.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -136.61 -176.27 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 109.353 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.5 ptm -37.91 94.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.474 1.109 . . . . 1.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 39.87 57.49 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 1.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.23 121.65 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttt -95.47 123.75 39.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.741 ' O ' HG23 ' A' ' 117' ' ' ILE . 0.9 OUTLIER -124.63 157.04 36.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.354 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -116.44 158.47 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.6 mm -115.64 116.44 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.362 1.039 . . . . 1.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 7.6 pt-20 -96.74 118.67 33.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 1.0 110.288 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.853 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.49 133.01 2.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 1.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -118.28 10.5 12.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 1.0 109.334 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.1 mptp? -158.52 84.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 1.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.471 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 59.9 p -39.11 133.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.54 -172.57 43.05 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 1.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.574 HG22 ' H ' ' A' ' 135' ' ' VAL . 2.5 m -110.12 -174.42 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 1.0 110.34 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.588 HG11 ' H ' ' A' ' 106' ' ' GLY . 14.8 p -71.04 143.0 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.709 ' HD2' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -124.94 -46.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.596 1.185 . . . . 1.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.42 132.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.953 HG23 HG22 ' A' ' 153' ' ' VAL . 1.3 mt -102.68 134.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 1.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -109.85 -43.49 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.4 p -68.13 155.23 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 1.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.1 147.12 37.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 1.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.2 t -60.29 91.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 1.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.06 -17.62 7.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 1.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -64.71 151.39 92.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 1.0 110.313 179.937 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -74.99 159.24 41.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 1.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.3 m -124.14 158.89 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.585 ' HA ' HG22 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -140.04 165.59 26.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 1.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.452 ' N ' HG22 ' A' ' 88' ' ' VAL . 19.0 t80 -59.26 138.1 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 54.98 19.55 2.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 13.5 tm-20 -85.75 132.64 43.66 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.137 . . . . 1.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.436 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.0 Cg_endo -75.02 134.93 18.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 1.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 91' ' ' PHE . 20.4 mt -110.19 -80.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 1.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.953 HG22 HG23 ' A' ' 138' ' ' ILE . 9.9 t -121.81 145.62 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.914 HG13 HG13 ' A' ' 82' ' ' ILE . 23.7 t -103.22 122.22 55.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.459 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.6 mp -111.25 157.41 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.4 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.5 tt0 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 1.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.635 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.546 -0.538 . . . . 1.0 109.546 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.635 HD12 ' C ' ' A' ' 81' ' ' HIS . 4.0 mp -148.21 117.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.248 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.841 HG21 HD13 ' A' ' 115' ' ' LEU . 74.7 t -74.84 116.86 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -108.61 121.23 44.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.621 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -45.78 103.96 0.37 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 1.0 109.988 179.992 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 1.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.93 133.23 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.709 HG22 ' H ' ' A' ' 148' ' ' PHE . 18.2 t -66.02 147.46 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.85 -120.01 0.96 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 1.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 145' ' ' PRO . 31.8 m -132.46 163.05 29.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.798 . . . . 1.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.602 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.6 t80 -134.68 136.41 42.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -129.97 154.11 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 1.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.778 HH12 HD11 ' A' ' 103' ' ' ILE . 10.8 mmm180 -103.64 -13.27 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.972 HG22 ' HA ' ' A' ' 101' ' ' ALA . 45.7 p -136.2 155.76 77.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 1.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.11 21.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.43 1.753 . . . . 1.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.575 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.1 OUTLIER -158.34 177.27 2.17 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 1.0 109.986 -179.889 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 -41.18 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 1.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.47 19.98 19.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -94.17 156.94 16.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 1.0 109.366 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -58.28 169.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.357 -179.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.972 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -95.86 134.6 38.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.709 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 26.5 m-85 -58.16 -38.31 76.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 1.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.778 HD11 HH12 ' A' ' 93' ' ' ARG . 1.1 pt -146.87 105.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 1.0 109.399 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.59 123.44 30.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 1.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.567 HG22 HD11 ' A' ' 138' ' ' ILE . 57.5 t -40.41 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 1.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.633 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.82 12.25 19.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.146 . . . . 1.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.34 159.71 19.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 1.0 110.355 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 165.03 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 1.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.8 m -143.2 139.11 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' VAL . 9.7 p-10 -115.02 147.12 40.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.497 HG23 ' H ' ' A' ' 132' ' ' SER . 3.4 t -40.28 109.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 1.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.47 23.72 4.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 1.0 111.052 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.0 132.95 53.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 1.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.639 HG21 ' CE1' ' A' ' 102' ' ' PHE . 34.7 m -58.54 142.76 48.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 1.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.027 HD21 HG22 ' A' ' 127' ' ' ILE . 2.2 pp -112.5 -31.9 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 1.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.777 ' SG ' HD12 ' A' ' 127' ' ' ILE . 13.9 p -178.65 -176.19 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 108.335 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.774 HD13 ' O ' ' A' ' 116' ' ' CYS . 20.4 mm -125.77 153.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.784 ' CG2' HD11 ' A' ' 127' ' ' ILE . 23.3 t -132.5 124.98 52.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 1.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.21 137.23 38.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 1.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -131.75 -175.84 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.05 91.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 1.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 120' ' ' ALA . 1.6 ttpm? 46.2 47.55 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 1.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.42 114.16 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 1.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ttt -87.72 141.7 28.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 1.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.603 ' O ' HG23 ' A' ' 117' ' ' ILE . 11.2 m-80 -136.9 155.83 49.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.693 ' HG3' HD12 ' A' ' 117' ' ' ILE . 7.7 mp0 -121.76 142.64 49.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 1.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 1.027 HG22 HD21 ' A' ' 115' ' ' LEU . 5.9 mt -105.58 116.05 48.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -99.5 128.19 45.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 1.0 110.261 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.406 ' N ' HD23 ' A' ' 115' ' ' LEU . . . -40.27 133.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 1.0 109.253 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -109.8 14.55 23.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 1.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.0 tttm 179.93 98.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.362 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.497 ' H ' HG23 ' A' ' 111' ' ' VAL . 6.0 m -39.17 143.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.42 -174.53 47.04 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.538 1.149 . . . . 1.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 31.7 m -115.2 158.37 22.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 0.762 . . . . 1.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.633 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.7 p -49.56 162.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 1.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.576 ' HB3' HG12 ' A' ' 154' ' ' VAL . 4.1 tmtt? -143.93 -50.53 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 1.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.85 132.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.938 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.16 126.16 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 1.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.77 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -96.27 -44.65 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.386 1.054 . . . . 1.0 109.29 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.557 HG11 ' CE2' ' A' ' 91' ' ' PHE . 7.2 p -72.57 160.23 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -122.14 139.42 53.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.2 p -49.0 101.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 1.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 90' ' ' THR . . . 120.36 -35.54 3.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.46 151.18 7.9 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 1.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -74.98 169.0 23.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 1.0 111.055 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -136.7 157.04 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 1.0 109.236 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.489 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.0 tt0 -136.23 159.69 40.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 110.351 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.709 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.0 t80 -66.11 127.18 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 1.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.9 t70 81.88 1.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.467 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 1.5 tt0 -83.52 145.4 47.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 1.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.766 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.98 155.56 43.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 1.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.833 HD12 HG12 ' A' ' 83' ' ' VAL . 88.6 mt -127.16 -81.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 1.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.938 HG22 HG23 ' A' ' 138' ' ' ILE . 5.3 t -129.51 139.47 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.643 HG23 HD21 ' A' ' 139' ' ' LEU . 74.5 t -96.06 127.87 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.7 mp -113.13 163.78 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 1.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.8 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 1.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.507 ' CG ' ' HD2' ' A' ' 131' ' ' LYS . 10.7 t60 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.623 -0.51 . . . . 1.0 109.623 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.956 ' CD1' HG13 ' A' ' 154' ' ' VAL . 15.5 mm -140.83 121.98 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 1.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.75 116.34 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -112.9 124.39 52.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -49.6 106.14 0.59 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 0.49 8.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 1.0 111.069 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.04 129.75 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 1.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.747 HG22 ' H ' ' A' ' 148' ' ' PHE . 24.7 t -63.15 138.15 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 1.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.04 -125.35 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.12 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.491 ' CA ' HG22 ' A' ' 146' ' ' VAL . 97.8 m -126.45 167.96 14.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 1.0 110.408 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.814 ' HD2' HD13 ' A' ' 152' ' ' LEU . 3.1 t80 -139.6 135.59 33.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.076 . . . . 1.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -128.28 162.83 26.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 1.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.437 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 21.7 mmm-85 -109.99 -13.9 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 1.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.722 HG22 ' HA ' ' A' ' 101' ' ' ALA . 8.5 p -127.69 155.55 76.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.418 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.2 Cg_endo -75.06 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 1.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -139.25 178.59 1.57 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.98 153.41 41.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t70 62.06 22.3 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 1.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -113.2 152.45 29.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -71.97 164.28 26.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.41 1.069 . . . . 1.0 109.27 -179.914 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.722 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -75.68 132.86 40.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 1.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.882 ' CE1' HG21 ' A' ' 114' ' ' THR . 5.7 m-85 -45.5 -43.73 11.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.482 ' C ' HD13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -135.08 119.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 1.0 109.284 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -91.71 116.61 29.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 1.0 110.241 -179.985 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' GLU . 57.8 t -40.23 116.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.62 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 116.37 8.72 12.45 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.137 . . . . 1.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -114.74 171.15 7.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 1.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -110.13 158.81 17.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.504 HG21 HD11 ' A' ' 115' ' ' LEU . 29.1 m -137.4 137.93 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -119.08 147.33 44.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.24 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.36 109.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.84 -21.93 6.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 1.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.42 136.72 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.629 0.841 . . . . 1.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.882 HG21 ' CE1' ' A' ' 102' ' ' PHE . 98.4 m -62.14 150.81 37.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.821 HD13 ' HB2' ' A' ' 129' ' ' ALA . 0.3 OUTLIER -116.78 -38.8 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.546 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.5 p -179.93 -173.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 1.0 108.291 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.438 HG13 ' CE2' ' A' ' 102' ' ' PHE . 4.9 mt -126.61 160.42 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 1.0 109.318 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.551 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.6 t -143.99 132.92 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 1.0 109.239 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.9 tt0 -91.76 128.48 37.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -167.98 168.2 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 1.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 15.1 ptt? 42.52 45.5 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.97 51.87 4.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.73 156.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.422 ' CG ' HG21 ' A' ' 117' ' ' ILE . 36.9 ttp -74.09 144.29 45.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 1.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -137.91 99.49 3.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -73.55 150.78 41.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 1.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.551 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -116.14 117.16 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 1.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -95.99 123.45 39.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.821 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.38 133.01 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.34 14.64 11.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.507 ' HD2' ' CG ' ' A' ' 81' ' ' HIS . 2.3 ttmm -163.2 84.64 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.473 1.108 . . . . 1.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' LYS . 53.4 p -39.2 141.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.12 -174.21 46.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 1.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.5 m -114.29 147.41 39.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.803 . . . . 1.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.62 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.0 p -41.49 160.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.72 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -143.46 -49.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.71 132.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 1.0 109.363 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.928 HG23 HG22 ' A' ' 153' ' ' VAL . 1.7 mt -100.21 120.05 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 1.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.753 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -89.08 -44.18 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.327 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.665 HG13 ' CE1' ' A' ' 91' ' ' PHE . 12.9 p -81.61 159.95 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 1.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.55 176.61 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 1.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 88.8 p -78.12 97.94 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 1.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 90' ' ' THR . . . 123.82 -37.1 2.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.506 1.129 . . . . 1.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -46.5 150.29 1.22 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 1.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.02 176.08 10.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 1.0 111.067 179.91 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.675 HG12 ' CD2' ' A' ' 152' ' ' LEU . 0.5 OUTLIER -147.47 156.79 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 109.224 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -139.83 161.02 38.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 1.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.747 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.8 t80 -62.39 126.87 28.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.467 1.104 . . . . 1.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.2 t70 78.72 13.15 1.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 150' ' ' GLU . 3.1 tp10 -92.78 135.15 26.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 1.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.753 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.95 141.03 26.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.601 1.843 . . . . 1.0 111.006 179.932 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.814 HD13 ' HD2' ' A' ' 91' ' ' PHE . 49.7 mt -113.68 -75.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.928 HG22 HG23 ' A' ' 138' ' ' ILE . 10.6 t -126.46 146.58 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.956 HG13 ' CD1' ' A' ' 82' ' ' ILE . 68.8 t -106.33 126.03 62.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.507 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.2 mt -110.37 164.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.507 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 14.0 tt0 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 1.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.596 ' CE1' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.079 ' CD1' HG13 ' A' ' 154' ' ' VAL . 7.4 mm -93.29 123.15 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.232 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.899 HG21 ' CD2' ' A' ' 115' ' ' LEU . 57.4 t -84.23 116.36 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 1.0 109.266 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 36.1 mtm180 -107.45 123.04 47.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.718 ' CA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -47.49 105.82 0.53 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 110.021 -179.941 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.64 8.63 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 1.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 11.9 ptp -156.25 122.03 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 1.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.769 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.7 t -60.31 146.55 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.4 -119.2 0.97 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.567 1.167 . . . . 1.0 111.04 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 118' ' ' VAL . 26.1 m -128.34 168.62 15.28 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 0.79 . . . . 1.0 110.403 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.799 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.5 t80 -140.76 141.84 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 1.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 62.4 m-85 -135.13 156.71 48.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 1.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HD3' HG21 ' A' ' 138' ' ' ILE . 29.8 mmm-85 -103.32 -13.8 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 1.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.941 HG22 ' HA ' ' A' ' 101' ' ' ALA . 71.2 p -132.12 155.51 81.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 1.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -26.4 11.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 1.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.483 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -148.02 177.44 1.79 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.0 109.995 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.97 -45.87 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.411 1.742 . . . . 1.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.13 33.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 1.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -118.57 151.3 38.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -66.94 166.97 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.294 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.941 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -81.31 133.24 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.878 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.0 m-85 -53.93 -40.33 66.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 1.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.519 HD12 ' CG1' ' A' ' 109' ' ' VAL . 41.7 mm -133.12 131.14 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 66.8 tt0 -107.5 116.85 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 1.0 110.22 -179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.595 ' HA ' HG21 ' A' ' 135' ' ' VAL . 61.6 t -40.04 116.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.434 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.71 26.18 5.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 1.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -134.49 157.37 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 1.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 134' ' ' THR . 11.9 mtmm -99.11 169.85 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.519 ' CG1' HD12 ' A' ' 103' ' ' ILE . 18.0 m -151.28 147.71 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 111' ' ' VAL . 41.7 t30 -129.03 146.01 51.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -39.68 108.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 1.0 109.374 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.24 -14.76 5.37 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 1.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.78 132.7 42.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.459 0.74 . . . . 1.0 109.35 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.878 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.4 m -56.1 141.86 38.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 110.369 -179.903 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.899 ' CD2' HG21 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -110.22 -33.78 6.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 1.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.573 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.3 p 173.31 -173.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 1.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 3.7 mt -125.55 158.08 34.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 90' ' ' THR . 52.3 t -143.08 125.17 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 109.236 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -83.55 125.61 31.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.604 1.19 . . . . 1.0 110.306 179.899 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.484 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -172.09 175.88 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 1.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.484 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 24.0 ptm 42.31 46.7 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.43 51.8 2.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.35 170.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 1.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.26 132.62 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -122.83 95.29 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 1.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -72.02 154.94 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 1.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.8 mm -116.62 116.22 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 1.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' ALA . 10.2 tt0 -93.37 98.37 11.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.697 ' HA ' HD13 ' A' ' 115' ' ' LEU . . . 37.84 -142.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 1.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.596 ' OD2' ' CE1' ' A' ' 81' ' ' HIS . 1.8 t0 154.52 -23.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 1.0 109.362 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.564 ' HB3' ' CD2' ' A' ' 81' ' ' HIS . 5.6 tttm -170.64 95.03 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 131' ' ' LYS . 32.8 t -38.15 138.09 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.975 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 172.07 -172.65 44.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 1.0 110.977 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 108' ' ' LYS . 15.2 m -112.57 166.16 11.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 1.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.595 HG21 ' HA ' ' A' ' 105' ' ' VAL . 4.3 p -53.9 165.28 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.688 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.4 OUTLIER -149.75 -46.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.77 132.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.767 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -98.64 132.01 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 1.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.675 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -103.36 -44.03 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.604 HG13 ' CE1' ' A' ' 91' ' ' PHE . 8.8 p -74.77 146.71 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 1.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.442 ' OE2' ' NE2' ' A' ' 144' ' ' GLN . 0.8 OUTLIER -101.56 160.1 14.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.0 110.255 -179.915 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 81.8 p -71.89 97.24 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 114.68 -5.47 22.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 1.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.442 ' NE2' ' OE2' ' A' ' 141' ' ' GLU . 0.0 OUTLIER -78.35 151.0 77.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 1.0 110.327 179.898 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.09 157.96 42.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 1.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.799 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.0 m -138.73 158.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.718 ' HA ' HG13 ' A' ' 88' ' ' VAL . 31.8 mt-10 -125.99 160.37 30.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 1.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.769 ' H ' HG22 ' A' ' 88' ' ' VAL . 25.7 t80 -65.71 130.19 42.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 1.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.9 t70 82.91 -5.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -81.57 144.9 53.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.0 110.305 -179.96 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.543 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.92 155.4 43.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.47 1.774 . . . . 1.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.718 HD11 ' CA ' ' A' ' 85' ' ' SER . 26.2 mt -127.88 -77.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.767 HG22 HG23 ' A' ' 138' ' ' ILE . 10.5 t -118.83 143.4 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 1.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 1.079 HG13 ' CD1' ' A' ' 82' ' ' ILE . 44.0 t -101.49 121.19 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.861 ' CD1' HD21 ' A' ' 115' ' ' LEU . 3.4 mt -112.82 163.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.409 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 1.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 mp -94.06 116.33 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.683 HG12 HD12 ' A' ' 152' ' ' LEU . 72.7 t -81.67 116.9 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -104.71 122.67 46.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 1.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.86 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -38.67 99.26 0.19 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.01 0.26 9.12 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.535 1.808 . . . . 1.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.5 tpp -158.71 111.44 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 1.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.798 HG13 ' HA ' ' A' ' 147' ' ' GLU . 11.5 t -53.6 138.86 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.25 -120.51 1.0 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.442 1.089 . . . . 1.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 91' ' ' PHE . 94.8 m -125.24 168.83 12.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 1.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.657 ' HB2' HG11 ' A' ' 146' ' ' VAL . 9.0 t80 -137.87 140.12 40.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 1.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.3 m-85 -135.33 146.86 48.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 1.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -95.08 -13.87 24.75 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.534 1.146 . . . . 1.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 101' ' ' ALA . 59.3 p -130.37 156.59 79.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 1.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -74.95 -48.18 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 1.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.52 179.08 1.25 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 110.013 179.977 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 149.94 37.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 71.72 6.5 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 1.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -104.29 136.43 43.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.263 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -51.86 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 1.0 109.226 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.908 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -97.87 132.61 43.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.827 ' CE1' HG21 ' A' ' 114' ' ' THR . 11.0 m-85 -49.03 -40.64 31.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.724 HD13 HG11 ' A' ' 109' ' ' VAL . 6.4 tp -128.34 92.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 1.0 109.262 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.29 112.31 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.244 -179.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.576 HG22 HD11 ' A' ' 138' ' ' ILE . 60.6 t -40.33 116.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.647 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 108.19 12.12 22.52 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 1.0 110.995 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -116.47 166.06 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 1.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.89 162.42 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.724 HG11 HD13 ' A' ' 103' ' ' ILE . 34.5 m -141.78 136.86 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.7 t-20 -117.01 149.21 40.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.31 109.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.75 -27.71 4.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.14 . . . . 1.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.18 138.78 38.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 0.768 . . . . 1.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.827 HG21 ' CE1' ' A' ' 102' ' ' PHE . 59.5 m -56.51 165.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 1.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 129' ' ' ALA . 0.2 OUTLIER -127.33 -43.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.566 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -178.64 -158.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 108.362 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.545 HG22 ' CE ' ' A' ' 124' ' ' MET . 4.6 mt -143.54 152.53 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.689 ' CG2' HD11 ' A' ' 127' ' ' ILE . 47.4 t -136.18 127.99 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.216 179.936 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.419 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.2 tt0 -88.39 128.61 35.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 1.0 110.294 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -171.04 167.24 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 4.2 ptm 42.64 45.01 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.6 51.84 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.59 155.47 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 1.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.545 ' CE ' HG22 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -89.29 131.83 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 1.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -124.83 108.77 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 1.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.605 ' CG ' HG23 ' A' ' 114' ' ' THR . 7.8 tt0 -77.18 150.27 35.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 1.0 110.268 -179.94 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.689 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.4 mt -109.49 117.23 54.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 1.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -94.19 124.57 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.887 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -41.89 137.19 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 1.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.6 16.27 7.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 1.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -168.75 85.54 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 12.0 m -39.22 132.94 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 1.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.99 -173.3 39.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 1.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 94.4 m -116.6 155.27 29.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 1.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.647 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.3 p -47.91 160.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.8 ttpp -145.07 -47.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 1.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.0 133.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -104.97 118.2 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 109.315 -179.95 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.739 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -86.5 -44.36 12.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.648 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.1 p -81.49 151.78 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 1.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -107.94 174.17 6.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 1.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.429 ' N ' ' OE1' ' A' ' 141' ' ' GLU . 11.3 t -79.13 92.52 5.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 1.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.05 -21.71 6.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 1.0 110.983 179.925 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 150.2 84.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.514 0.773 . . . . 1.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -74.94 170.16 21.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.42 1.748 . . . . 1.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.657 HG11 ' HB2' ' A' ' 91' ' ' PHE . 35.8 m -148.93 158.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.798 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.7 mt-10 -139.47 160.93 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.76 ' H ' HG22 ' A' ' 88' ' ' VAL . 9.9 t80 -63.21 133.97 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 1.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.56 -6.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 1.0 109.266 179.973 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 0.6 OUTLIER -86.12 142.61 36.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.319 -179.95 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.726 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.7 Cg_endo -74.92 158.18 42.67 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.515 1.797 . . . . 1.0 111.069 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.86 HD11 ' HA ' ' A' ' 85' ' ' SER . 81.3 mt -125.09 -81.91 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.588 1.18 . . . . 1.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 138' ' ' ILE . 11.1 t -126.74 139.0 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.679 HG23 HD21 ' A' ' 139' ' ' LEU . 48.0 t -98.58 125.32 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.8 mp -115.7 163.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 26.5 tt0 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 1.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.511 ' CG ' ' HD2' ' A' ' 131' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 . . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.431 HG13 HG13 ' A' ' 154' ' ' VAL . 4.0 mp -138.88 116.04 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.913 HG21 HD23 ' A' ' 115' ' ' LEU . 38.8 t -77.32 117.89 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.076 . . . . 1.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -107.96 127.0 53.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 1.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.845 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -42.53 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 1.0 109.978 -179.985 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 0.59 8.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.782 . . . . 1.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -168.38 126.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 1.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.848 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.7 t -58.18 139.06 18.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.14 -127.42 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 143' ' ' GLY . 88.8 m -126.37 162.91 24.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 1.0 110.391 -179.929 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.736 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -133.94 134.32 42.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 1.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 53.6 m-85 -127.68 151.59 48.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 1.0 111.082 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.422 ' CZ ' HG21 ' A' ' 138' ' ' ILE . 28.6 mmm-85 -99.35 -13.6 19.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 1.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.911 HG22 ' HA ' ' A' ' 101' ' ' ALA . 30.9 p -135.98 155.6 77.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 1.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -28.99 8.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.527 1.804 . . . . 1.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.4 178.7 1.35 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.992 -179.981 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.05 -40.11 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.455 1.766 . . . . 1.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.27 36.35 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -120.42 152.53 37.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 1.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -68.28 168.36 12.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.911 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -80.71 133.09 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.72 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 15.9 m-85 -53.41 -39.96 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 tt -129.36 119.83 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 28.8 tt0 -93.38 109.19 20.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 110.359 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.407 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.3 t -40.23 115.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.558 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 100.69 31.69 5.67 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.442 1.089 . . . . 1.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.84 165.63 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 0.72 . . . . 1.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 118.74 37.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.08 . . . . 1.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 132' ' ' SER . 30.7 m -114.98 137.05 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 1.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.407 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 4.7 p30 -118.52 146.79 44.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.68 HG23 ' HA ' ' A' ' 130' ' ' ASP . 2.6 p -40.23 109.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 1.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.44 -11.49 6.06 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.73 136.68 34.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 1.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.588 HG21 ' CE1' ' A' ' 102' ' ' PHE . 22.0 m -57.91 143.58 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.045 HD13 ' HB2' ' A' ' 129' ' ' ALA . 2.1 tp -112.02 -30.85 7.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.759 ' O ' HD13 ' A' ' 117' ' ' ILE . 23.8 p 177.91 -169.9 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 1.0 108.233 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 116' ' ' CYS . 24.8 mm -129.03 154.59 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 -179.931 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.83 ' CG2' HD11 ' A' ' 127' ' ' ILE . 41.5 t -134.18 127.28 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -101.58 135.53 42.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 1.0 110.351 179.941 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -130.43 -175.86 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.18 91.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 1.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 44.35 47.98 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.58 114.09 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 110.985 179.906 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.3 ttt -83.78 143.39 30.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 1.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 117' ' ' ILE . 3.2 m-80 -138.93 155.05 48.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.617 ' CG ' HD12 ' A' ' 117' ' ' ILE . 0.3 OUTLIER -122.76 144.66 49.03 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.489 1.118 . . . . 1.0 110.296 -179.944 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.83 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.4 mt -104.42 116.84 48.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 1.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -101.1 113.23 26.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 1.045 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.42 132.87 1.99 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.68 ' HA ' HG23 ' A' ' 111' ' ' VAL . 33.3 t70 -114.83 13.62 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 1.0 109.275 -179.934 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.511 ' HD2' ' CG ' ' A' ' 81' ' ' HIS . 8.0 pttm -165.65 97.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 2.0 m -39.06 154.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 1.0 110.008 179.919 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.8 -172.91 41.04 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 1.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.754 ' O ' HG12 ' A' ' 135' ' ' VAL . 4.0 m -135.36 58.69 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 1.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 134' ' ' THR . 6.8 p 50.56 177.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.47 1.106 . . . . 1.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.688 ' H ' HG22 ' A' ' 135' ' ' VAL . 4.9 tttt -166.0 -50.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.08 132.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 1.018 HG23 HG22 ' A' ' 153' ' ' VAL . 1.3 mm -98.28 135.02 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -105.16 -44.54 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 1.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.653 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.5 p -80.64 148.94 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.6 164.14 12.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 1.0 110.339 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.26 103.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.037 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.99 -29.52 7.68 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 1.0 110.993 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 8.6 tt0 -52.32 140.7 33.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 1.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.4 Cg_endo -74.93 160.48 40.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 1.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.736 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.1 m -139.9 159.49 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.371 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.678 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.1 tt0 -131.53 161.63 32.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.848 ' H ' HG22 ' A' ' 88' ' ' VAL . 21.9 t80 -64.52 130.94 45.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 1.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.2 t70 83.97 0.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 1.0 109.348 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.474 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 10.8 mm-40 -90.0 149.93 42.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 1.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.64 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.1 Cg_endo -74.99 158.67 42.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.56 1.821 . . . . 1.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.845 HD11 ' HA ' ' A' ' 85' ' ' SER . 98.3 mt -131.64 -81.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 1.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 1.018 HG22 HG23 ' A' ' 138' ' ' ILE . 79.3 t -124.69 151.43 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.448 HG12 ' CD ' ' A' ' 136' ' ' LYS . 40.6 t -114.94 124.32 71.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 156' ' ' GLU . 5.2 mp -116.15 167.1 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 1.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.53 ' N ' HG22 ' A' ' 155' ' ' ILE . 6.7 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 110.367 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.752 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.651 -0.5 . . . . 1.0 109.651 . . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.969 ' CD1' HG13 ' A' ' 154' ' ' VAL . 7.7 mm -96.18 123.41 48.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 1.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.781 HG21 HD23 ' A' ' 115' ' ' LEU . 47.8 t -85.93 116.4 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 1.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 20.9 mtt180 -118.18 123.66 46.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 1.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.46 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -51.86 107.25 0.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.7 8.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 1.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.5 tpp -163.56 125.02 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.759 HG22 ' HA ' ' A' ' 147' ' ' GLU . 17.7 t -46.85 150.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 1.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.543 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 161.06 -134.51 3.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 143' ' ' GLY . 52.5 m -138.66 126.0 21.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 1.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.659 ' CD2' HG11 ' A' ' 140' ' ' VAL . 6.0 t80 -89.26 135.0 33.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 1.0 111.056 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.527 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 42.2 m-85 -133.37 142.62 48.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 103' ' ' ILE . 10.3 mmm180 -91.0 -16.03 28.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.918 HG22 ' HA ' ' A' ' 101' ' ' ALA . 63.4 p -129.75 156.36 78.98 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.533 1.146 . . . . 1.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.97 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 1.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.59 179.09 1.25 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 1.0 109.995 -179.952 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.99 150.93 38.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.476 1.777 . . . . 1.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 t0 70.49 7.61 6.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 1.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -105.27 136.74 44.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 1.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -51.87 -176.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.918 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -98.58 132.47 43.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 1.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.883 ' CE1' HG21 ' A' ' 114' ' ' THR . 6.1 m-85 -47.79 -42.78 26.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 1.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 115' ' ' LEU . 4.8 pt -131.92 120.97 45.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 1.0 109.377 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -99.27 118.0 34.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.639 HG22 HD11 ' A' ' 138' ' ' ILE . 61.9 t -40.29 116.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.634 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 112.04 15.89 9.56 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.52 1.137 . . . . 1.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -121.89 159.92 25.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 1.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.45 163.37 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.648 HG21 HD11 ' A' ' 115' ' ' LEU . 21.9 m -141.83 131.29 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -117.22 150.04 39.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 1.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.6 t -40.59 111.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.38 16.96 6.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.442 1.089 . . . . 1.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.12 133.65 55.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.883 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.8 m -63.36 141.74 58.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 1.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.01 HD21 ' CD1' ' A' ' 155' ' ' ILE . 1.5 tp -113.69 -31.53 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 1.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.605 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 30.8 p -178.99 -164.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 1.0 108.324 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.49 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.6 mt -137.94 153.22 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 1.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.54 117.33 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 1.0 109.244 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -99.02 131.31 45.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 1.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.458 ' O ' ' CG ' ' A' ' 123' ' ' MET . . . -163.98 160.61 22.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 52.89 19.36 1.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 1.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.23 42.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 1.0 109.238 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -156.86 150.78 24.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ptp -91.49 141.46 28.71 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 1.108 . . . . 1.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -139.48 99.74 3.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 1.0 109.307 -179.96 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.777 ' CG ' HG23 ' A' ' 114' ' ' THR . 26.6 tt0 -63.56 146.46 53.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 1.0 110.226 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.6 mm -108.74 115.89 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 1.0 109.237 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -91.25 132.07 36.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 1.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -42.01 133.17 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 1.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -117.63 15.89 14.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 81' ' ' HIS . 11.1 tmtt? -174.71 85.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 42.9 t -39.39 137.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 179.29 -173.31 45.34 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.0 m -113.8 148.88 35.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 0.731 . . . . 1.0 110.44 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.634 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.4 p -40.52 157.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.572 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -142.58 -47.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 1.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.98 133.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.839 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -100.35 121.38 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 1.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 1.035 HD21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -90.93 -44.25 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.25 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.659 HG11 ' CD2' ' A' ' 91' ' ' PHE . 12.0 p -74.79 152.8 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 1.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -115.44 130.35 56.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 1.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.8 t -38.99 96.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 1.0 110.108 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 90' ' ' THR . . . 129.99 -40.86 1.61 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.47 1.107 . . . . 1.0 111.034 -179.897 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 141' ' ' GLU . 76.2 mt-30 -47.37 148.1 2.46 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.466 0.745 . . . . 1.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -74.99 174.73 12.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.497 1.788 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.756 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.3 m -139.75 158.74 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 1.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.759 ' HA ' HG22 ' A' ' 88' ' ' VAL . 2.6 tt0 -136.98 172.38 13.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 1.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 27.3 t80 -69.62 113.91 7.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 1.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.1 t70 82.94 9.66 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -78.42 148.9 74.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 1.0 110.2 -179.91 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.729 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.95 154.27 42.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 1.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 91' ' ' PHE . 96.6 mt -134.21 -81.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 1.0 109.391 179.955 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.839 HG22 HG23 ' A' ' 138' ' ' ILE . 11.3 t -129.19 152.6 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 1.0 109.378 179.91 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 1.035 HG23 HD21 ' A' ' 139' ' ' LEU . 57.6 t -111.02 132.89 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 1.01 ' CD1' HD21 ' A' ' 115' ' ' LEU . 5.2 mt -124.67 164.1 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.5 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.6 -0.519 . . . . 1.0 109.6 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.531 HG13 HG13 ' A' ' 154' ' ' VAL . 2.0 mt -89.67 133.24 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.6 t -91.6 141.44 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 1.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -120.95 123.74 43.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 1.0 110.29 -179.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.725 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -41.72 101.47 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 1.0 110.011 -179.961 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 0.34 9.03 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.427 1.751 . . . . 1.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.778 ' CG ' HG11 ' A' ' 118' ' ' VAL . 11.1 ptm -156.5 126.75 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 1.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 148' ' ' PHE . 22.0 t -68.41 138.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.88 -122.94 1.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.559 1.162 . . . . 1.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 91' ' ' PHE . 52.9 m -126.3 168.78 13.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 0.815 . . . . 1.0 110.438 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.719 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.3 t80 -136.74 141.26 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 1.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.556 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.8 m-85 -136.28 150.9 49.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 1.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.548 ' NH1' ' CG2' ' A' ' 103' ' ' ILE . 12.4 mmm180 -98.35 -13.73 20.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 1.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.855 HG22 ' HA ' ' A' ' 101' ' ' ALA . 23.6 p -136.3 155.69 77.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 1.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.418 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.5 Cg_endo -74.98 -51.98 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.761 . . . . 1.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.52 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -137.01 178.76 1.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 110.052 -179.986 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 151.14 39.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 1.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 65.04 12.27 7.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 1.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -101.94 145.87 28.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 1.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 168.68 1.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.855 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.81 133.12 37.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 1.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.796 ' CD1' HG21 ' A' ' 114' ' ' THR . 29.1 m-85 -54.96 -37.94 67.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.548 ' CG2' ' NH1' ' A' ' 93' ' ' ARG . 19.9 tt -130.18 101.82 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -90.17 115.51 27.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 1.0 110.367 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.684 HG22 HD11 ' A' ' 138' ' ' ILE . 89.6 t -40.69 116.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 1.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.727 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.61 22.28 8.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 1.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.78 157.93 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 1.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -106.24 153.47 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 132' ' ' SER . 34.6 m -133.17 134.52 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.478 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 15.4 p30 -117.75 151.0 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.07 109.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.17 -31.69 3.98 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.538 1.149 . . . . 1.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 129' ' ' ALA . 0.5 OUTLIER -74.77 137.37 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 1.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.796 HG21 ' CD1' ' A' ' 102' ' ' PHE . 89.8 m -54.95 175.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 110.395 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' ' 129' ' ' ALA . 2.6 tp -136.76 -46.42 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -177.96 -157.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 108.28 179.93 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.598 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -141.34 155.49 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.778 HG11 ' CG ' ' A' ' 87' ' ' MET . 6.8 t -141.2 130.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.2 tt0 -88.5 134.63 33.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -176.2 169.45 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.602 1.189 . . . . 1.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.493 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 17.7 ptp 42.52 46.29 4.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 1.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.3 tttp 41.36 51.78 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 1.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.0 156.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -77.52 143.2 38.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 1.0 111.022 179.904 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -135.5 99.45 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.358 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -67.52 154.7 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.7 mm -117.83 115.82 49.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.367 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.98 139.48 31.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 1.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.635 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -58.22 133.16 55.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -122.88 16.22 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 1.0 109.237 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.68 91.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.555 1.159 . . . . 1.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.478 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 79.3 p -39.19 134.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 1.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.42 -172.79 33.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.44 1.088 . . . . 1.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 27.6 m -127.78 146.97 50.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 1.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.727 HG11 ' H ' ' A' ' 106' ' ' GLY . 11.7 p -42.0 161.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.605 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -151.73 -46.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.9 132.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.812 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -104.47 130.4 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.652 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -99.67 -46.06 5.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 1.0 109.284 -179.925 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.628 HG13 ' CE1' ' A' ' 91' ' ' PHE . 13.9 p -80.73 138.11 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 1.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.465 ' HG2' ' CG ' ' A' ' 144' ' ' GLN . 10.0 pt-20 -99.03 178.38 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 110.219 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.5 p -78.08 93.5 4.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 1.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.556 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.17 -31.52 3.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 1.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.465 ' CG ' ' HG2' ' A' ' 141' ' ' GLU . 0.6 OUTLIER -52.93 148.76 13.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 1.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.0 Cg_endo -75.08 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 1.0 110.974 -179.888 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.719 HG11 ' HB2' ' A' ' 91' ' ' PHE . 20.8 m -151.63 157.98 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 1.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.524 ' CD ' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -148.62 156.37 42.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 1.0 110.319 179.917 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.794 ' H ' HG22 ' A' ' 88' ' ' VAL . 11.3 t80 -59.85 137.64 58.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.45 -5.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.226 179.962 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.458 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 40.1 mm-40 -90.2 146.03 34.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 1.0 110.29 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.652 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.04 156.7 42.82 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 1.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.725 HD11 ' HA ' ' A' ' 85' ' ' SER . 26.2 mt -123.04 -81.75 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.812 HG22 HG23 ' A' ' 138' ' ' ILE . 48.4 t -124.44 137.72 56.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 1.0 109.296 -179.929 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.605 HG12 ' HB3' ' A' ' 136' ' ' LYS . 57.4 t -95.0 116.48 36.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 1.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 11.2 mm -107.43 163.69 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.371 179.924 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.493 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.8 tt0 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.191 . . . . 1.0 110.322 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.48 ' N ' ' ND1' ' A' ' 81' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 . . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.953 HG13 HG13 ' A' ' 154' ' ' VAL . 2.8 mp -85.86 116.05 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -87.8 122.89 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 1.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' SER . 49.5 mtt180 -98.43 132.2 44.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 1.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.67 ' HA ' HD11 ' A' ' 152' ' ' LEU . 8.8 p -38.45 103.32 0.27 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 1.0 110.036 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.27 9.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 1.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 131.18 6.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.579 1.174 . . . . 1.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.905 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.6 t -71.16 139.33 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.72 -117.51 0.82 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 1.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.465 ' O ' HG13 ' A' ' 118' ' ' VAL . 73.7 m -129.18 167.82 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 1.0 110.404 -179.932 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.715 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.9 t80 -137.56 137.99 39.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -129.46 155.95 44.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 1.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' HD3' HG21 ' A' ' 138' ' ' ILE . 18.8 mmm180 -103.25 -13.59 16.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.802 HG22 ' HA ' ' A' ' 101' ' ' ALA . 29.0 p -126.82 155.56 75.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 1.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.471 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 18.2 Cg_endo -74.97 -33.2 4.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.557 1.82 . . . . 1.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.87 172.34 7.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 109.985 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.72 14.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.468 1.773 . . . . 1.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -121.65 63.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 1.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -153.12 146.95 25.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 1.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.97 167.94 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 1.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.802 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -69.75 132.39 46.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.864 ' CE1' HG21 ' A' ' 114' ' ' THR . 3.1 m-85 -40.4 -45.46 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 1.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.712 HD11 ' O ' ' A' ' 114' ' ' THR . 1.2 mp -130.19 163.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 1.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.503 ' N ' ' CG2' ' A' ' 103' ' ' ILE . 20.6 pt-20 -123.85 115.21 20.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.604 1.19 . . . . 1.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.653 ' CG2' HD11 ' A' ' 138' ' ' ILE . 62.9 t -40.24 115.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 1.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.559 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.53 25.55 5.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.551 1.157 . . . . 1.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.53 164.02 15.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 0.753 . . . . 1.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.593 ' HG3' HG22 ' A' ' 134' ' ' THR . 1.9 mptp? -101.73 114.79 29.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 1.0 109.232 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 132' ' ' SER . 18.9 m -107.7 136.91 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -129.63 152.47 49.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.2 t -40.36 109.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 1.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.04 -23.83 4.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.088 . . . . 1.0 111.02 -179.941 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.91 136.98 32.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 0.803 . . . . 1.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.864 HG21 ' CE1' ' A' ' 102' ' ' PHE . 92.2 m -59.2 174.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.509 ' H ' HG22 ' A' ' 114' ' ' THR . 3.5 tp -136.14 -46.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.627 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p -178.5 -173.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 108.301 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 95' ' ' PRO . 3.3 mt -125.51 161.57 29.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 1.0 109.227 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 90' ' ' THR . 40.2 t -144.33 124.6 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 1.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.406 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 2.6 tt0 -82.08 126.87 32.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -173.1 170.83 4.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 1.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 22.9 ptm 42.45 46.15 4.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? 40.84 51.75 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 1.0 109.292 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -176.02 161.0 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 1.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.03 127.81 36.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -115.79 124.86 51.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -88.53 145.58 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 1.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.422 HD11 HG21 ' A' ' 118' ' ' VAL . 3.8 mt -114.58 115.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.25 138.86 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.88 133.14 5.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -113.14 14.65 19.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 1.0 109.253 -179.923 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.34 105.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.353 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 45.6 t -39.29 154.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 1.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -177.34 -172.58 42.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.748 ' O ' HG12 ' A' ' 135' ' ' VAL . 1.8 p -134.07 55.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 1.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.748 HG12 ' O ' ' A' ' 134' ' ' THR . 5.8 p 50.49 179.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.72 ' H ' HG22 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -163.41 -49.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.86 133.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.895 HG23 HG22 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -97.38 132.99 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 1.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.24 -43.93 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 1.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.597 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.9 p -68.86 156.17 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.629 1.206 . . . . 1.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.407 ' HB2' ' NE2' ' A' ' 144' ' ' GLN . 2.3 mt-10 -110.49 155.84 21.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 1.0 110.231 -179.945 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.9 p -70.44 93.64 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 1.0 109.986 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 90' ' ' THR . . . 122.44 -22.84 7.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 1.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.462 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -62.27 151.64 81.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.749 . . . . 1.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -75.04 163.57 35.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 1.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 91' ' ' PHE . 18.8 m -143.1 157.34 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 1.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.585 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.1 tt0 -139.92 138.85 35.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 1.0 110.291 -179.919 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.905 ' H ' HG22 ' A' ' 88' ' ' VAL . 2.6 t80 -50.53 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 1.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 1.1 p30 150.65 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 1.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.442 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 9.0 mm-40 -64.39 141.42 98.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.05 41.36 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.49 1.784 . . . . 1.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.67 HD11 ' HA ' ' A' ' 85' ' ' SER . 94.9 mt -105.3 -78.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.895 HG22 HG23 ' A' ' 138' ' ' ILE . 3.5 t -130.44 139.81 50.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.953 HG13 HG13 ' A' ' 82' ' ' ILE . 6.3 t -96.94 127.14 49.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.472 ' CG2' ' HA3' ' A' ' 133' ' ' GLY . 4.5 mp -110.25 163.4 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.439 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 1.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.481 ' CB ' ' NZ ' ' A' ' 131' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.626 -0.509 . . . . 1.0 109.626 . . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.829 ' CD1' HG13 ' A' ' 154' ' ' VAL . 18.3 mm -140.91 115.92 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 1.0 109.373 179.912 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG12 HD12 ' A' ' 152' ' ' LEU . 63.5 t -79.23 116.43 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 1.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 7.2 mtp85 -113.72 121.86 45.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.43 ' OG ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -52.7 107.67 0.9 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.383 1.052 . . . . 1.0 109.945 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.55 8.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 1.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.16 128.25 9.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 1.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.646 HG22 ' H ' ' A' ' 148' ' ' PHE . 43.6 t -60.07 151.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.481 ' C ' HG22 ' A' ' 146' ' ' VAL . . . 153.35 -113.7 0.59 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.514 1.134 . . . . 1.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 144' ' ' GLN . 24.2 m -146.81 162.6 38.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 1.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.613 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.4 t80 -126.99 138.12 53.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 1.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 47.9 m-85 -134.32 148.18 50.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 1.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 142' ' ' SER . 11.6 mmm-85 -94.81 -17.48 22.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 1.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.979 HG22 ' HA ' ' A' ' 101' ' ' ALA . 45.8 p -136.44 155.51 77.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 1.0 110.33 -179.921 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.4 Cg_endo -74.97 -10.89 21.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.599 1.841 . . . . 1.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -163.84 173.96 3.72 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 1.0 109.949 -179.995 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 -35.07 3.37 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.423 1.749 . . . . 1.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.92 34.04 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -119.04 152.79 35.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 1.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -54.51 179.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 1.0 109.226 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.979 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -108.44 134.9 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.993 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 41.3 m-85 -65.52 -35.83 82.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 1.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 103' ' ' ILE . 18.8 tt -140.07 104.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 1.0 109.372 179.927 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.618 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 1.8 mt-10 -94.82 117.55 30.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 1.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.27 116.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.683 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.52 21.7 7.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.102 . . . . 1.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.07 160.24 33.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 1.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 160.33 15.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.7 m -138.99 144.58 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 5.2 m120 -117.6 145.09 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 1.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.684 HG23 ' H ' ' A' ' 132' ' ' SER . 3.2 t -40.05 108.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 1.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.03 -11.24 10.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 1.0 111.06 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.39 138.55 31.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 1.0 109.363 179.924 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.844 HG21 ' CD1' ' A' ' 102' ' ' PHE . 62.0 m -61.81 142.77 57.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 110.34 -179.917 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.027 HD21 HG22 ' A' ' 127' ' ' ILE . 1.7 pp -112.52 -32.88 6.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 1.0 109.226 -179.934 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.858 ' O ' HD13 ' A' ' 117' ' ' ILE . 14.7 p -178.88 -157.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 1.0 108.289 -179.954 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.993 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mm -137.9 160.41 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 1.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.489 ' CG2' HD11 ' A' ' 127' ' ' ILE . 58.4 t -143.04 116.9 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -86.35 126.16 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -165.75 162.42 18.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 1.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 48.23 34.6 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.96 47.02 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.6 mtt -164.8 153.03 12.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 126' ' ' GLN . 2.5 ttm -78.96 128.23 33.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -122.29 94.55 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.649 ' CG ' HD12 ' A' ' 117' ' ' ILE . 1.5 mt-30 -65.34 147.54 53.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 1.027 HG22 HD21 ' A' ' 115' ' ' LEU . 5.0 mm -109.49 116.17 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.65 125.84 41.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.063 . . . . 1.0 110.278 -179.928 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.521 ' N ' HD23 ' A' ' 115' ' ' LEU . . . -51.63 133.07 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 1.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -115.65 14.47 16.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 1.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.481 ' NZ ' ' CB ' ' A' ' 81' ' ' HIS . 9.2 pttp -163.19 87.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.684 ' H ' HG23 ' A' ' 111' ' ' VAL . 7.8 m -39.3 134.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 1.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.18 -173.27 40.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 1.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 t -119.23 149.3 41.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 0.726 . . . . 1.0 110.472 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.683 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.5 p -40.31 157.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -142.66 -47.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.26 132.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 109.264 179.95 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.903 HG23 HG22 ' A' ' 153' ' ' VAL . 1.8 mt -103.02 134.84 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 1.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -107.07 -46.12 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 1.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.0 p -67.65 149.0 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 1.0 109.372 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 142' ' ' SER . 5.6 tt0 -113.36 121.09 43.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 1.0 110.347 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.467 ' HB3' ' CG ' ' A' ' 93' ' ' ARG . 15.8 p -39.28 101.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 1.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.43 -35.68 2.75 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.472 1.107 . . . . 1.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 90' ' ' THR . 1.4 mp0 -58.63 151.53 51.35 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.545 0.791 . . . . 1.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.0 162.9 36.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 1.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.613 HG11 ' HB2' ' A' ' 91' ' ' PHE . 6.2 m -128.26 156.97 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 179.929 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.516 ' HA ' HG22 ' A' ' 88' ' ' VAL . 3.9 tt0 -134.78 157.59 46.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.646 ' H ' HG22 ' A' ' 88' ' ' VAL . 27.4 t80 -62.92 124.35 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 1.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.1 t70 81.5 13.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 4.3 tt0 -95.47 142.1 24.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -75.07 161.29 38.81 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.476 1.777 . . . . 1.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.483 HD12 HG12 ' A' ' 83' ' ' VAL . 71.5 mt -132.61 -81.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.285 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.903 HG22 HG23 ' A' ' 138' ' ' ILE . 9.6 t -122.6 147.57 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.829 HG13 ' CD1' ' A' ' 82' ' ' ILE . 61.9 t -104.19 130.22 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 1.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.1 mp -114.56 163.85 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 1.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.618 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 4.5 m-70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.583 -0.525 . . . . 1.0 109.583 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.94 ' CD1' HG13 ' A' ' 154' ' ' VAL . 18.6 mm -142.09 115.76 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 1.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.68 HG21 HD23 ' A' ' 115' ' ' LEU . 58.3 t -86.32 116.33 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.137 . . . . 1.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -116.75 127.33 54.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 1.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.43 105.0 0.44 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 1.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.64 118.05 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 1.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.799 HG22 ' H ' ' A' ' 148' ' ' PHE . 15.7 t -52.88 138.54 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 1.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.67 -118.97 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 1.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.479 ' O ' HG13 ' A' ' 118' ' ' VAL . 95.8 m -134.33 164.36 27.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 1.0 110.426 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.807 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -136.08 135.17 39.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.476 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 48.9 m-85 -125.41 155.23 40.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 1.0 111.015 179.927 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 5.8 mmm180 -102.88 -14.76 16.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 1.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.999 HG22 ' HA ' ' A' ' 101' ' ' ALA . 64.3 p -134.78 155.89 79.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 1.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.88 18.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 1.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -153.91 178.38 1.63 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.977 179.99 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.03 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.474 1.776 . . . . 1.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.23 23.7 4.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 1.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.46 160.06 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 109.336 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 165.41 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.999 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -81.62 134.88 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 1.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.993 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 14.8 m-85 -55.98 -40.13 72.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 1.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.57 HG21 ' HA ' ' A' ' 115' ' ' LEU . 1.5 pp -135.6 115.55 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -90.75 114.58 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 1.0 110.235 -179.953 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.412 HG22 HD11 ' A' ' 138' ' ' ILE . 54.8 t -40.09 116.13 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.624 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.43 15.39 12.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.383 1.052 . . . . 1.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.57 162.0 17.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 1.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.01 150.78 22.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 133' ' ' GLY . 27.7 m -130.1 134.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 1.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.6 t-20 -117.8 146.55 43.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 109.359 -179.959 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.42 -13.13 8.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 1.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.28 137.24 32.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 0.793 . . . . 1.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.483 HG21 ' CE1' ' A' ' 102' ' ' PHE . 9.2 m -66.37 144.9 56.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 1.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.68 HD23 HG21 ' A' ' 83' ' ' VAL . 1.4 tp -111.42 -30.28 7.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.06 . . . . 1.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.729 ' O ' HD13 ' A' ' 117' ' ' ILE . 1.3 p 172.49 -173.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 1.0 108.279 -179.962 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.993 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 7.0 mm -123.44 159.66 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 1.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 90' ' ' THR . 39.0 t -145.6 120.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -81.32 127.28 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.512 ' HB3' ' ND2' ' A' ' 125' ' ' ASN . . . -175.46 173.29 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 1.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.3 ptp 42.43 46.0 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 1.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.66 51.88 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 1.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.95 163.95 1.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.172 . . . . 1.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.465 ' CG ' ' O ' ' A' ' 124' ' ' MET . 2.2 ptt? -84.54 122.15 28.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 1.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' A' ' 120' ' ' ALA . 23.1 m-80 -107.92 102.37 11.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.57 ' HG3' HD12 ' A' ' 117' ' ' ILE . 3.1 mp0 -76.33 137.66 39.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 1.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.0 mm -100.5 116.99 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.302 -179.933 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -104.08 127.87 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.393 1.058 . . . . 1.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.71 133.13 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 1.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.59 18.37 18.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.618 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -178.81 95.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 1.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 3.3 m -39.4 141.62 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 1.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.42 ' O ' HG22 ' A' ' 109' ' ' VAL . . . -174.9 -173.1 40.45 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.466 1.104 . . . . 1.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 60.9 p -118.1 144.47 45.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 1.0 110.364 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.624 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.0 p -40.84 159.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 1.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -141.9 -49.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.2 137.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 1.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.911 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -99.53 119.23 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 1.025 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -88.23 -43.84 11.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 1.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.648 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.4 p -80.12 166.71 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.494 ' CB ' ' NE2' ' A' ' 144' ' ' GLN . 0.2 OUTLIER -118.87 171.26 8.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 1.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -80.34 100.8 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 110.007 179.962 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.476 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 115.63 -32.75 5.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 1.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.494 ' NE2' ' CB ' ' A' ' 141' ' ' GLU . 0.0 OUTLIER -51.21 150.44 5.96 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.488 0.758 . . . . 1.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 165.06 32.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 1.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.807 HG11 ' HB2' ' A' ' 91' ' ' PHE . 33.7 m -142.5 158.13 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.674 ' HA ' HG13 ' A' ' 88' ' ' VAL . 9.0 mt-10 -133.61 165.78 24.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.799 ' H ' HG22 ' A' ' 88' ' ' VAL . 35.5 t80 -63.2 134.13 55.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 1.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.9 t70 75.07 3.5 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 1.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.2 tp10 -83.81 136.47 41.76 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.876 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.02 151.73 39.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.491 1.785 . . . . 1.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.771 HD13 ' HD2' ' A' ' 91' ' ' PHE . 49.8 mt -121.68 -76.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.911 HG22 HG23 ' A' ' 138' ' ' ILE . 7.3 t -125.41 155.27 34.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 1.025 HG23 HD21 ' A' ' 139' ' ' LEU . 47.9 t -114.06 127.71 71.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.7 mp -112.34 163.82 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.465 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 1.0 110.344 -179.991 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 . . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.949 HD12 HG22 ' A' ' 154' ' ' VAL . 47.7 mm -112.85 115.92 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.859 HG21 HD23 ' A' ' 115' ' ' LEU . 41.2 t -75.82 116.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 1.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 22.3 mtt-85 -115.63 127.46 55.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 1.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.411 ' CA ' HD11 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -55.1 108.79 1.27 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 110.0 -179.99 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 0.92 8.36 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.549 1.815 . . . . 1.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.37 127.53 6.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.647 HG22 ' HA ' ' A' ' 147' ' ' GLU . 23.2 t -56.32 150.75 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.506 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 154.58 -121.29 1.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 1.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 33.0 m -137.25 166.62 23.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 0.72 . . . . 1.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.582 ' CE2' HG11 ' A' ' 140' ' ' VAL . 3.5 t80 -134.93 138.35 43.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 1.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 64.7 m-85 -135.71 149.55 49.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.431 ' HD3' HG21 ' A' ' 138' ' ' ILE . 22.4 mmm-85 -97.13 -13.79 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.966 HG22 ' HA ' ' A' ' 101' ' ' ALA . 55.3 p -134.39 155.4 79.81 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 1.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -75.01 -26.94 10.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.436 1.756 . . . . 1.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.04 178.59 1.42 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 1.0 109.938 -179.957 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.94 -47.95 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.396 1.735 . . . . 1.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -99.4 40.66 1.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 1.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -120.51 150.9 40.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 1.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -57.93 171.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 1.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.966 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -95.11 134.56 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.702 ' CE1' HG21 ' A' ' 114' ' ' THR . 16.5 m-85 -56.75 -39.75 74.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.453 1.095 . . . . 1.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.834 HD11 HG11 ' A' ' 109' ' ' VAL . 6.2 mt -136.59 108.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 109.24 -179.945 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' VAL . 7.4 mt-10 -89.42 115.57 26.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 138' ' ' ILE . 55.3 t -39.59 115.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 1.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.53 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.65 16.16 8.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.575 1.172 . . . . 1.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -121.64 171.12 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 1.0 110.279 -179.946 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -113.53 159.69 19.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 1.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 103' ' ' ILE . 26.8 m -139.42 150.6 22.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.447 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 7.2 p30 -126.63 145.88 50.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 1.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 1.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.32 -22.29 7.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 1.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 133.68 36.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.788 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.704 HG23 ' HG3' ' A' ' 126' ' ' GLN . 31.4 m -56.63 142.95 37.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 1.0 110.431 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.977 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.1 tp -112.52 -31.62 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 1.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.528 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.2 p 175.36 -172.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 1.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.434 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.2 mt -121.09 158.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.471 HG23 HG13 ' A' ' 127' ' ' ILE . 43.2 t -139.14 121.51 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 1.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 2.9 tt0 -85.07 128.13 34.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -169.01 166.22 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.504 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.6 ptp 42.72 44.03 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.81 51.83 6.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 1.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.13 153.67 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.63 138.76 41.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 1.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -132.58 96.87 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.704 ' HG3' HG23 ' A' ' 114' ' ' THR . 29.0 tt0 -63.85 152.38 39.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 1.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.471 HG13 HG23 ' A' ' 118' ' ' VAL . 3.7 mm -116.67 115.83 50.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 1.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.07 125.63 36.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 1.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.977 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -52.94 133.0 38.22 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.544 1.153 . . . . 1.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.531 ' HA ' HG23 ' A' ' 111' ' ' VAL . 8.5 t70 -120.95 24.94 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 5.3 tttm -169.08 83.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.447 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 53.5 p -39.3 144.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 109.962 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.495 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 170.8 -177.9 43.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 1.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 135' ' ' VAL . 88.3 m -107.55 174.91 5.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 0.724 . . . . 1.0 110.451 179.991 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.53 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.5 p -70.16 140.1 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.722 ' HB3' HG12 ' A' ' 154' ' ' VAL . 4.4 tttt -121.99 -42.84 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 1.0 109.217 -179.928 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.63 136.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.931 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.03 132.55 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -101.78 -46.16 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.582 HG11 ' CE2' ' A' ' 91' ' ' PHE . 14.5 p -70.29 152.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 143' ' ' GLY . 32.6 tt0 -114.93 137.88 51.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 t -48.24 95.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 1.0 109.984 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.529 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.8 -32.0 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.581 1.175 . . . . 1.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.439 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -53.27 150.24 11.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 1.0 110.303 -179.947 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.1 Cg_endo -75.1 168.46 24.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 1.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 88' ' ' VAL . 1.5 m -134.29 160.18 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.647 ' HA ' HG22 ' A' ' 88' ' ' VAL . 14.6 mt-10 -144.4 160.34 41.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 1.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.574 ' H ' HG22 ' A' ' 88' ' ' VAL . 28.1 t80 -64.33 125.35 24.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 1.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 20.4 t0 80.06 11.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 3.8 tt0 -92.6 143.69 27.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 1.0 110.36 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.64 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.03 163.94 34.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 1.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 91' ' ' PHE . 83.5 mt -136.53 -80.6 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 1.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.931 HG22 HG23 ' A' ' 138' ' ' ILE . 14.5 t -125.51 145.99 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 1.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.949 HG22 HD12 ' A' ' 82' ' ' ILE . 95.8 t -102.78 122.22 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.639 ' CD1' HD21 ' A' ' 115' ' ' LEU . 1.4 mp -109.61 155.59 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.469 ' HB3' ' CG ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 1.0 110.342 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.41 ' CG ' ' N ' ' A' ' 82' ' ' ILE . 24.7 t60 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.41 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 4.4 mp -136.93 123.78 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 1.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.77 HG12 HD12 ' A' ' 152' ' ' LEU . 87.4 t -86.08 116.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 1.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 86' ' ' PRO . 6.8 mtt-85 -106.69 111.57 24.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 1.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.932 ' HB2' HD21 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -38.68 99.28 0.19 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.564 1.165 . . . . 1.0 110.02 179.968 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.0 Cg_endo -75.0 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.422 1.749 . . . . 1.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.78 114.73 5.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 1.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.928 HG13 ' HA ' ' A' ' 147' ' ' GLU . 5.8 t -59.32 139.32 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 1.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.71 -120.51 0.98 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 1.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 143' ' ' GLY . 50.5 m -126.05 167.54 15.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 0.722 . . . . 1.0 110.356 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.704 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.2 t80 -138.09 132.32 31.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 1.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.515 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.1 m-85 -125.36 151.61 45.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 1.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.781 HH21 ' HB3' ' A' ' 116' ' ' CYS . 0.9 OUTLIER -101.51 -14.18 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.398 1.061 . . . . 1.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.887 HG22 ' HA ' ' A' ' 101' ' ' ALA . 44.0 p -130.11 155.48 80.68 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.26 3.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.54 1.81 . . . . 1.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -127.57 175.47 3.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 1.0 109.989 -179.976 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -32.04 5.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 1.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -118.01 55.27 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.73 143.05 43.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 171.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 1.0 109.235 -179.903 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.887 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.08 133.03 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.947 ' CE1' HG21 ' A' ' 114' ' ' THR . 7.1 m-85 -47.26 -43.09 21.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 1.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 tt -134.48 112.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 41.9 tt0 -86.22 117.68 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 1.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.575 HG22 HD11 ' A' ' 138' ' ' ILE . 89.4 t -40.32 116.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 1.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.609 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.72 11.36 12.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 1.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -118.12 169.53 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 1.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 54.5 tttt -109.48 167.54 10.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.095 . . . . 1.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 133' ' ' GLY . 12.6 m -141.82 135.8 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 1.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -116.26 142.92 46.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.36 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 1.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.31 -17.87 6.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 1.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.87 143.83 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 1.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.947 HG21 ' CE1' ' A' ' 102' ' ' PHE . 68.9 m -64.9 152.38 43.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 1.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.728 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.8 tp -117.74 -40.27 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 1.0 109.314 -179.922 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.781 ' HB3' HH21 ' A' ' 93' ' ' ARG . 13.9 p -178.63 -166.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 1.0 108.284 179.952 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.446 HG21 ' CG ' ' A' ' 124' ' ' MET . 4.4 mt -137.16 156.49 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 1.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.496 ' CG2' HD11 ' A' ' 127' ' ' ILE . 17.6 t -138.1 132.64 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 1.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -95.41 132.28 40.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 1.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -171.84 167.1 6.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 1.0 109.285 179.924 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 121' ' ' MET . . . . . 0.5 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 24.6 ptm 42.82 44.15 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 1.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? 43.48 51.83 6.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 1.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.2 mtm -171.06 155.74 4.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.446 ' CG ' HG21 ' A' ' 117' ' ' ILE . 4.5 ttm -84.33 141.29 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -135.54 103.25 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -73.77 156.02 38.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 1.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.496 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.3 mt -119.1 116.37 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.78 121.03 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.728 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.42 133.0 1.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.28 14.38 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.5 OUTLIER -161.34 82.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 1.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 131' ' ' LYS . 49.2 p -39.19 138.76 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.474 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 178.25 -173.26 45.75 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.479 1.112 . . . . 1.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 18.5 m -116.57 151.14 36.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.785 . . . . 1.0 110.447 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.609 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.7 p -41.87 162.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -146.22 -48.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.65 133.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 1.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.73 129.8 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 1.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.66 HD21 HG23 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -97.38 -45.64 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 1.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.597 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.9 p -91.02 140.57 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.416 ' HG2' ' NE2' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -97.12 -179.1 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 1.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.3 t -77.09 97.54 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.515 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.02 -35.44 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 1.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.416 ' NE2' ' HG2' ' A' ' 141' ' ' GLU . 15.6 mt-30 -47.77 150.55 1.84 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 1.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 145' ' ' PRO . . . . . 0.538 ' O ' HG13 ' A' ' 146' ' ' VAL . 18.3 Cg_endo -75.01 178.27 7.49 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.446 1.761 . . . . 1.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.704 HG11 ' HB2' ' A' ' 91' ' ' PHE . 13.7 m -155.84 158.94 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 1.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.928 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.0 pt-20 -145.82 162.34 37.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.76 ' H ' HG22 ' A' ' 88' ' ' VAL . 9.7 t80 -62.47 135.16 57.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.12 -6.63 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 109.35 -179.938 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 147' ' ' GLU . 0.9 OUTLIER -89.22 133.24 35.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 1.0 110.273 179.969 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 151' ' ' PRO . . . . . 0.458 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.97 156.75 43.13 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.41 1.742 . . . . 1.0 111.002 179.927 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.932 HD21 ' HB2' ' A' ' 85' ' ' SER . 15.9 mt -117.16 -75.02 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 138' ' ' ILE . 9.1 t -127.69 141.84 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.66 HG23 HD21 ' A' ' 139' ' ' LEU . 44.4 t -99.51 123.56 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.9 mt -107.72 163.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 1.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.503 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 66.4 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 1.0 110.356 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.5 ptt? . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.49 0.186 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -127.46 -174.56 3.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 1.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.825 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -40.52 -54.67 4.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.825 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.98 -69.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 1.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 73' ' ' PRO . . . 71.46 -62.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 1.0 109.247 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.549 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -151.12 172.12 16.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 1.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . 74.52 -62.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.75 134.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 1.0 110.319 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 79' ' ' SER . 2.1 pp -136.3 -48.03 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 1.0 109.359 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.406 ' N ' HD12 ' A' ' 78' ' ' ILE . 3.2 m 62.76 116.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.976 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.435 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -38.71 158.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 1.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.502 ' CE1' ' HD2' ' A' ' 131' ' ' LYS . 12.2 m-70 -122.83 174.6 7.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 1.0 109.601 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.4 mp -142.84 116.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 1.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 152' ' ' LEU . 30.1 t -71.29 118.09 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 1.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 0.2 OUTLIER -109.39 107.58 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 110.349 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.581 ' HB3' HD11 ' A' ' 152' ' ' LEU . 2.0 p -39.98 106.13 0.39 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 1.0 109.955 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.71 8.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 1.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.77 121.03 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 1.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.684 HG22 ' N ' ' A' ' 148' ' ' PHE . 66.3 t -54.73 147.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.67 -126.56 1.86 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 1.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 143' ' ' GLY . 85.3 m -127.04 168.37 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.718 ' HD2' HD13 ' A' ' 152' ' ' LEU . 6.6 t80 -136.93 138.9 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 1.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.571 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.5 m-85 -133.23 159.04 41.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 1.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.74 ' HD2' HG21 ' A' ' 138' ' ' ILE . 0.9 OUTLIER -114.59 -17.55 11.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 1.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.981 HG22 ' HA ' ' A' ' 101' ' ' ALA . 44.2 p -136.19 155.73 77.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 1.0 110.363 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -11.74 21.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 1.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -164.21 178.74 1.35 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 1.0 110.033 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.03 -46.66 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 1.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.18 35.57 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 1.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.0 161.69 17.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 167.11 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.981 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -99.92 134.39 42.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 114' ' ' THR . 12.4 m-85 -54.93 -40.37 69.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 1.0 111.065 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 1.8 tt -132.69 113.65 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.16 111.27 20.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 1.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.3 t -40.17 116.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.566 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 106.69 19.46 9.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.55 165.38 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.735 . . . . 1.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.24 150.35 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 1.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 133' ' ' GLY . 20.4 m -130.7 137.63 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 1.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 1.0 OUTLIER -117.0 144.2 44.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 1.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.526 HG23 ' H ' ' A' ' 132' ' ' SER . 3.1 t -40.18 108.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.94 -11.02 8.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 1.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.85 135.61 33.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.68 HG21 ' CE1' ' A' ' 102' ' ' PHE . 30.0 m -62.06 143.03 57.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 1.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 103' ' ' ILE . 7.4 mt -112.86 -31.43 6.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.562 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 0.9 OUTLIER 175.91 -172.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 108.317 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.603 HD13 ' HA ' ' A' ' 126' ' ' GLN . 12.4 mm -126.09 167.46 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 1.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 90' ' ' THR . 4.2 t -151.81 128.56 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 1.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.412 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.6 tt0 -83.15 128.45 34.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.49 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -168.24 166.56 12.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.107 . . . . 1.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 3.5 ptt? 42.61 45.65 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.2 tttt 42.1 51.68 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 1.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.14 155.82 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 1.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.4 mtt -72.11 139.85 48.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 1.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 120' ' ' ALA . 37.9 m-80 -132.11 102.13 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 1.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.65 ' HG3' HG23 ' A' ' 114' ' ' THR . 8.7 tt0 -70.73 152.96 43.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.503 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.6 mt -121.83 115.98 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 129' ' ' ALA . 6.7 tt0 -97.2 131.1 44.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 115' ' ' LEU . . . -40.28 133.03 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 1.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.62 12.93 32.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.502 ' HD2' ' CE1' ' A' ' 81' ' ' HIS . 1.1 tttp 177.75 103.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.526 ' H ' HG23 ' A' ' 111' ' ' VAL . 67.9 p -39.13 143.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.548 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 178.25 -178.62 48.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 1.0 110.982 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 40.9 m -112.58 145.57 40.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 1.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.566 HG11 ' H ' ' A' ' 106' ' ' GLY . 7.9 p -41.13 160.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.68 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -141.9 -49.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.237 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.37 138.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 1.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 1.015 HG23 HG22 ' A' ' 153' ' ' VAL . 4.6 mm -100.1 111.89 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.846 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -79.68 -46.2 17.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.628 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.7 p -86.78 152.29 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 172.33 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.2 p -70.86 105.25 3.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 1.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.571 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 107.83 -20.17 31.95 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 1.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 12.6 tt0 -57.17 139.56 79.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 1.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.3 Cg_endo -74.98 150.62 38.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.793 . . . . 1.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' A' ' 91' ' ' PHE . 1.3 m -131.37 161.61 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 150' ' ' GLU . 6.4 mt-10 -130.15 175.08 9.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.684 ' N ' HG22 ' A' ' 88' ' ' VAL . 36.7 t80 -60.49 139.54 57.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.5 OUTLIER 58.17 15.95 3.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 1.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 26.2 tp10 -85.34 135.22 39.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 1.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.846 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.0 137.95 22.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 1.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.718 HD13 ' HD2' ' A' ' 91' ' ' PHE . 26.1 mt -112.83 -77.49 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 1.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 1.015 HG22 HG23 ' A' ' 138' ' ' ILE . 53.8 t -116.93 149.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 1.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.714 HG23 HD21 ' A' ' 139' ' ' LEU . 79.5 t -114.12 122.49 68.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.469 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.9 mp -107.74 164.34 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 110.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.477 0.18 . . . . 1.0 110.967 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 64.69 152.35 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 110.273 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.48 89.25 36.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 1.0 109.249 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 119.42 5.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 1.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.32 176.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 1.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.88 -61.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -166.23 147.84 6.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -167.36 120.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 1.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.13 -70.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 1.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.9 t 179.88 42.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 1.0 110.06 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -43.78 168.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.133 . . . . 1.0 111.005 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.618 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 9.3 m-70 -115.87 166.66 11.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 1.0 109.531 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.859 HD13 HG22 ' A' ' 154' ' ' VAL . 3.5 mm -132.3 117.73 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 1.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.821 HG21 HD13 ' A' ' 115' ' ' LEU . 93.7 t -87.03 116.53 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 1.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -115.73 123.5 48.45 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.551 1.157 . . . . 1.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.545 ' OG ' HG21 ' A' ' 146' ' ' VAL . 0.5 OUTLIER -44.52 103.53 0.34 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 1.0 109.933 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 1.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.7 mtt -154.65 116.06 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.815 HG22 ' H ' ' A' ' 148' ' ' PHE . 15.3 t -51.95 138.65 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.47 -120.84 0.98 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.136 . . . . 1.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 91' ' ' PHE . 46.2 m -129.79 169.04 15.65 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.497 0.763 . . . . 1.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.789 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.5 t80 -140.76 137.47 33.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 1.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.556 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 78.4 m-85 -128.83 162.51 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 1.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.456 ' NH2' HD12 ' A' ' 138' ' ' ILE . 5.6 mmm-85 -111.19 -14.1 13.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 1.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.901 HG22 ' HA ' ' A' ' 101' ' ' ALA . 77.5 p -129.43 155.48 80.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 1.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -27.69 9.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.793 . . . . 1.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -141.92 177.2 1.99 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.0 Cg_endo -75.04 -43.42 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 1.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -100.82 52.91 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 1.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.9 144.44 37.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 1.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 168.18 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 1.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.901 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -73.9 133.0 43.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.955 ' CE1' HG21 ' A' ' 114' ' ' THR . 4.4 m-85 -44.14 -44.32 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.449 HD12 ' CG1' ' A' ' 109' ' ' VAL . 36.8 mm -134.65 139.69 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 1.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -104.63 115.72 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 110.23 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.506 ' HA ' HG21 ' A' ' 135' ' ' VAL . 57.4 t -40.47 116.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 1.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.531 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.31 25.73 5.43 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.441 1.088 . . . . 1.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -120.33 171.11 8.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 0.792 . . . . 1.0 110.297 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -108.79 123.58 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 103' ' ' ILE . 15.9 m -115.42 136.28 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.388 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -117.81 144.51 45.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.3 109.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 1.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.84 -3.44 6.95 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.508 1.13 . . . . 1.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.16 137.19 42.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 0.805 . . . . 1.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.955 HG21 ' CE1' ' A' ' 102' ' ' PHE . 97.3 m -59.43 141.84 53.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 1.0 110.431 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.821 HD13 HG21 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -112.58 -33.35 6.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.615 1.197 . . . . 1.0 109.255 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.5 ' SG ' ' CD1' ' A' ' 115' ' ' LEU . 21.1 p 178.39 -172.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 108.33 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 118' ' ' VAL . 5.9 mt -132.7 160.89 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.483 ' CG2' HD11 ' A' ' 127' ' ' ILE . 2.9 t -146.0 133.71 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -93.52 140.47 29.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 1.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.05 154.02 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 57.3 mmm 51.09 27.83 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 1.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt 63.6 43.85 5.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 1.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.4 mmt -159.52 150.26 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 124' ' ' MET . 1.8 pmm? -78.03 142.99 37.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 1.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -139.27 104.85 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 1.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -71.37 152.86 42.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 1.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.8 HG22 HD21 ' A' ' 115' ' ' LEU . 1.4 mt -118.83 116.95 52.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 1.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -95.09 122.75 38.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 1.0 110.305 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.4 133.1 1.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.39 15.17 26.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 1.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.618 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER 178.19 111.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 1.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 92.8 p -40.6 160.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 1.0 110.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.452 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -178.51 -173.29 43.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.756 ' O ' HG12 ' A' ' 135' ' ' VAL . 2.7 m -138.67 56.3 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.787 . . . . 1.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 134' ' ' THR . 6.2 p 50.84 177.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.745 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -166.28 -47.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 1.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.07 133.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 1.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.816 HG23 HG22 ' A' ' 153' ' ' VAL . 1.0 OUTLIER -97.48 126.03 50.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.471 1.107 . . . . 1.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.811 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -96.72 -44.26 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.256 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.652 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.8 p -79.37 163.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 109.389 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.443 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.8 OUTLIER -115.0 172.77 6.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 1.0 110.291 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.4 t -82.44 101.86 10.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.556 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.36 -21.69 16.77 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.473 1.108 . . . . 1.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.26 150.98 83.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.416 0.715 . . . . 1.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -75.02 166.76 28.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 1.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 91' ' ' PHE . 34.1 m -143.8 158.8 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.669 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -133.69 163.52 29.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 1.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.815 ' H ' HG22 ' A' ' 88' ' ' VAL . 35.4 t80 -62.33 135.14 57.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 1.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 7.3 t70 74.49 4.03 4.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.3 tp10 -85.92 136.44 36.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 1.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.811 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.05 151.68 39.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 1.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.785 HD13 ' HD2' ' A' ' 91' ' ' PHE . 54.9 mt -120.35 -77.48 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.816 HG22 HG23 ' A' ' 138' ' ' ILE . 3.8 t -128.46 152.44 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 1.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.859 HG22 HD13 ' A' ' 82' ' ' ILE . 69.9 t -111.19 127.41 68.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 1.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 156' ' ' GLU . 4.9 mp -112.69 166.96 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 1.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.527 ' N ' HG22 ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.515 0.198 . . . . 1.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.58 -59.24 1.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 1.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.95 159.4 1.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.99 5.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.431 1.753 . . . . 1.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.47 63.43 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 1.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.35 89.52 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 63.26 170.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 1.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' SER . 30.8 tt0 -178.08 90.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 1.0 110.317 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 80' ' ' GLY . 52.2 mt 69.07 -66.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 1.0 109.385 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.601 ' O ' ' CD2' ' A' ' 81' ' ' HIS . 1.2 m 49.97 22.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 109.981 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.63 ' H ' HG22 ' A' ' 78' ' ' ILE . . . -59.88 91.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.566 1.166 . . . . 1.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.601 ' CD2' ' O ' ' A' ' 79' ' ' SER . 3.8 m-70 -112.82 161.16 17.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 1.0 109.574 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 81' ' ' HIS . 4.6 mp -132.06 116.05 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 1.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.804 HG12 HD12 ' A' ' 152' ' ' LEU . 37.2 t -77.9 117.9 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -105.8 119.36 38.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 1.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.871 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -45.43 103.75 0.36 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 109.993 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 0.44 8.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.778 . . . . 1.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.92 143.85 18.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 1.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.0 t -81.28 138.95 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 1.0 109.245 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.15 -121.16 1.03 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 1.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 85.7 m -127.66 167.43 16.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 1.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.767 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.4 t80 -138.06 135.45 35.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 1.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 72.8 m-85 -129.2 158.32 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 1.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.813 ' HD2' HG21 ' A' ' 138' ' ' ILE . 0.1 OUTLIER -113.42 -18.34 12.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 1.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 1.001 HG22 ' HA ' ' A' ' 101' ' ' ALA . 40.5 p -136.7 155.1 76.86 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 1.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.03 19.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 1.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -157.67 178.74 1.58 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.929 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.99 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 1.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.61 27.53 6.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.23 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.15 164.48 11.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 1.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 2.8 mmtp -65.0 167.39 7.88 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.001 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -107.04 136.74 46.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.845 ' CE1' HG21 ' A' ' 114' ' ' THR . 27.9 m-85 -63.92 -37.32 86.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 1.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.46 73.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 107' ' ' GLN . 16.7 pt-20 -64.61 123.42 19.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 1.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.498 HG22 HD11 ' A' ' 138' ' ' ILE . 53.1 t -40.22 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.689 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.23 13.76 24.01 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.499 1.125 . . . . 1.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -114.18 164.42 13.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 0.795 . . . . 1.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.497 ' CG ' HG23 ' A' ' 134' ' ' THR . 7.6 mttt -117.24 170.64 8.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 132' ' ' SER . 18.3 m -149.56 139.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 2.4 t30 -119.69 151.11 39.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.34 109.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.78 -14.27 9.15 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.488 1.118 . . . . 1.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 136.75 32.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 0.787 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.845 HG21 ' CE1' ' A' ' 102' ' ' PHE . 86.4 m -49.43 174.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 1.0 110.397 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.522 ' H ' HG22 ' A' ' 114' ' ' THR . 5.8 tp -137.75 -46.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 1.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.572 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.6 p -178.47 -165.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 1.0 108.306 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.496 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.8 mt -136.07 156.46 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.513 ' CG2' HD11 ' A' ' 127' ' ' ILE . 6.4 t -141.6 131.66 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -92.28 132.54 36.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 1.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.79 147.71 20.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 95.4 mtp 51.78 28.94 5.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 1.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt 64.57 42.0 5.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 1.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.5 ttm -147.56 158.53 44.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.456 1.098 . . . . 1.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.458 ' CG ' HG21 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -98.19 126.14 43.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 1.0 111.07 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -124.39 121.54 35.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.234 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -78.66 153.92 30.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 1.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.513 HD11 ' CG2' ' A' ' 118' ' ' VAL . 3.2 mt -123.34 115.9 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.23 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.84 152.75 21.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 1.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.483 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -63.13 157.06 23.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 1.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -135.84 18.62 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 1.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.518 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.4 OUTLIER 175.57 96.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.472 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 85.4 p -41.84 133.12 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 1.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.1 -173.04 39.87 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 1.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 135' ' ' VAL . 2.5 m -110.4 -173.98 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.774 . . . . 1.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.689 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.6 p -79.4 148.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 1.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.618 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -128.08 -48.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 1.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 168.56 133.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.813 HG21 ' HD2' ' A' ' 93' ' ' ARG . 1.0 OUTLIER -99.98 113.33 35.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 1.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.919 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -82.41 -44.88 15.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.622 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.7 p -78.42 140.3 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 1.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.39 150.9 20.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.0 110.293 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.3 p -64.05 92.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 1.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 123.05 -9.68 8.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 1.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.38 151.99 83.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 1.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.07 160.32 40.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 1.0 111.002 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.767 HG11 ' HB2' ' A' ' 91' ' ' PHE . 6.6 m -140.21 157.97 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.421 1.076 . . . . 1.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.651 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -131.46 155.93 46.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 1.0 110.288 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.851 ' H ' HG22 ' A' ' 88' ' ' VAL . 17.6 t80 -62.98 133.99 55.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 1.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.0 t70 83.55 -3.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.354 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.468 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 3.2 mm-40 -89.6 148.24 39.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 1.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.552 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.01 155.96 42.91 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.52 1.8 . . . . 1.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.871 HD11 ' HA ' ' A' ' 85' ' ' SER . 74.9 mt -122.0 -80.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 1.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.776 HG22 HG23 ' A' ' 138' ' ' ILE . 3.8 t -127.11 150.1 32.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.919 HG23 HD21 ' A' ' 139' ' ' LEU . 35.7 t -103.21 123.82 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 1.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.5 mp -108.79 163.86 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 1.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 1.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.8 ptm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.551 0.215 . . . . 1.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.635 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.8 OUTLIER -72.42 133.31 44.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 168.01 -54.47 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 1.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -74.94 56.19 4.14 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.508 1.794 . . . . 1.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 45.13 91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.24 -61.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 1.0 109.252 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.96 106.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 1.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -178.25 100.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 1.0 110.359 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -153.8 116.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 1.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.35 -82.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 110.052 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.25 100.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.507 1.129 . . . . 1.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.461 ' HB2' ' CD ' ' A' ' 131' ' ' LYS . 23.6 t60 -123.18 159.9 27.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 1.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.911 ' CD1' HG13 ' A' ' 154' ' ' VAL . 22.6 mm -135.0 115.83 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 1.0 109.365 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.59 HG12 HD12 ' A' ' 152' ' ' LEU . 84.4 t -82.44 116.56 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.281 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -112.35 127.66 56.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 1.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.745 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -46.67 104.52 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 1.0 109.982 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.3 9.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.81 . . . . 1.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.1 ttm -159.69 127.2 4.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.855 HG22 ' H ' ' A' ' 148' ' ' PHE . 6.3 t -60.05 139.2 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.58 -123.15 1.19 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 1.0 111.042 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 91' ' ' PHE . 86.4 m -129.77 167.82 17.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 1.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.783 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.8 t80 -137.53 135.64 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 66.9 m-85 -129.37 152.86 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 1.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.435 ' NH2' HD12 ' A' ' 138' ' ' ILE . 9.1 mmm-85 -101.16 -13.94 17.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 1.0 110.248 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.936 HG22 ' HA ' ' A' ' 101' ' ' ALA . 53.7 p -130.41 155.54 80.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 1.0 110.418 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -26.55 10.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.567 1.825 . . . . 1.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.11 175.88 2.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 109.992 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.94 -37.35 2.11 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.567 1.825 . . . . 1.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -108.25 54.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -139.27 149.67 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 168.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.936 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -84.01 132.99 34.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.935 ' CE1' HG21 ' A' ' 114' ' ' THR . 8.9 m-85 -50.45 -41.77 53.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -140.68 109.75 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 1.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.7 129.28 36.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.467 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.9 t -40.26 116.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.117 . . . . 1.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.715 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.22 7.27 21.31 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.438 1.086 . . . . 1.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -111.39 159.38 18.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 1.0 110.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -105.93 168.93 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 1.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.2 m -145.18 139.06 22.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 109.33 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -123.2 146.99 47.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 1.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.38 109.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.453 1.095 . . . . 1.0 109.255 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.24 3.63 12.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.51 137.54 46.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.77 . . . . 1.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.935 HG21 ' CE1' ' A' ' 102' ' ' PHE . 96.3 m -63.16 141.39 58.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 110.448 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.842 HD21 HG22 ' A' ' 127' ' ' ILE . 3.5 pp -112.71 -32.85 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 109.36 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.543 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 12.3 p -178.71 -164.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.508 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.7 mt -139.69 150.64 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 109.228 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' THR . 45.0 t -130.85 132.76 63.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 1.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.93 129.66 46.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -158.01 157.54 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 1.0 109.23 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.8 mtm 51.72 20.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.4 44.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.37 150.25 23.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.0 mtm -79.06 137.2 37.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 1.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.22 95.38 3.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 1.0 109.241 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -62.07 151.92 34.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 1.0 110.355 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.842 HG22 HD21 ' A' ' 115' ' ' LEU . 2.9 mm -114.2 115.8 50.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.77 125.2 35.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.442 ' HA ' HD23 ' A' ' 115' ' ' LEU . . . -41.91 133.07 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.601 1.188 . . . . 1.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.19 14.45 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.461 ' CD ' ' HB2' ' A' ' 81' ' ' HIS . 18.6 tttt -166.61 84.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 1.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' LYS . 53.9 p -39.2 142.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 1.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.16 -173.32 46.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.111 . . . . 1.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.2 m -117.0 151.74 36.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 0.785 . . . . 1.0 110.429 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.715 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.2 p -41.75 161.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.501 1.126 . . . . 1.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.602 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.5 tmtm? -148.71 -47.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.329 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 168.46 132.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.82 HG23 HG22 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -102.11 136.57 33.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.622 HD21 HG23 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -105.55 -48.03 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.313 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.547 HG13 ' CE1' ' A' ' 91' ' ' PHE . 9.0 p -69.11 167.77 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 1.0 109.352 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.507 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.1 mp0 -119.57 168.95 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 1.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 t -82.91 87.15 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.07 -5.68 7.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 1.0 110.986 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.37 149.9 69.69 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 1.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -75.04 158.98 41.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 1.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.6 m -138.64 160.19 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.601 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.2 tt0 -132.44 157.14 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 1.0 110.347 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.855 ' H ' HG22 ' A' ' 88' ' ' VAL . 14.6 t80 -63.16 134.56 56.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 83.82 -6.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.466 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 48.5 mm-40 -86.02 148.55 48.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 1.0 110.264 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.61 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.97 168.13 25.53 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.453 1.765 . . . . 1.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.745 HD11 ' HA ' ' A' ' 85' ' ' SER . 61.0 mt -138.32 -80.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 1.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.82 HG22 HG23 ' A' ' 138' ' ' ILE . 11.2 t -124.63 142.2 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 1.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.911 HG13 ' CD1' ' A' ' 82' ' ' ILE . 45.9 t -100.13 128.93 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 1.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.5 mp -119.32 163.88 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 1.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.478 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 11.6 pt-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 1.0 110.339 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.441 0.162 . . . . 1.0 111.038 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.64 158.36 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -152.01 92.02 3.62 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 1.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -39.16 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.781 . . . . 1.0 111.038 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.93 -61.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 1.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.29 -61.21 0.25 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.139 . . . . 1.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -176.77 161.44 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 109.36 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.05 120.93 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.3 tp -94.57 57.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 1.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 t 60.26 -92.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 1.0 109.961 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.96 123.67 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.514 1.133 . . . . 1.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.514 ' CG ' ' HB2' ' A' ' 131' ' ' LYS . 3.8 t60 -142.84 134.34 26.37 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.485 0.756 . . . . 1.0 109.609 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.682 HG12 HG13 ' A' ' 154' ' ' VAL . 8.8 mt -99.43 123.18 51.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.555 1.159 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.006 HG21 HD13 ' A' ' 115' ' ' LEU . 72.2 t -81.24 122.51 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 1.0 109.287 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -110.58 119.65 39.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 1.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.84 ' HB2' HD21 ' A' ' 152' ' ' LEU . 32.3 t -39.36 105.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 110.071 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.47 8.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 1.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.76 ' CG ' HG11 ' A' ' 118' ' ' VAL . 16.1 ptp -161.29 135.74 7.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.87 HG22 ' H ' ' A' ' 148' ' ' PHE . 2.9 t -70.73 140.22 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 1.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.61 -118.78 0.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 1.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 27.3 m -128.39 169.9 13.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.78 . . . . 1.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.784 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.5 t80 -140.84 141.57 34.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.4 m-85 -135.67 154.18 51.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.485 ' HD3' HG21 ' A' ' 138' ' ' ILE . 16.3 mmm-85 -101.06 -15.85 17.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 1.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.969 HG22 ' HA ' ' A' ' 101' ' ' ALA . 77.0 p -131.38 155.57 81.31 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 110.389 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -29.34 8.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.779 . . . . 1.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.494 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -141.03 177.79 1.81 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 1.0 109.98 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -43.14 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 1.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.84 52.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 1.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.51 145.29 40.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 1.0 109.377 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -58.05 169.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 1.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.969 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -84.2 133.02 34.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.911 ' CE1' HG21 ' A' ' 114' ' ' THR . 9.9 m-85 -49.99 -41.96 48.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 1.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.407 HD12 HG11 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -134.92 97.59 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 1.0 109.343 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.593 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 3.4 mp0 -76.25 122.71 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 1.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.498 HG22 HD11 ' A' ' 138' ' ' ILE . 55.1 t -40.14 115.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.583 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 99.68 28.05 7.67 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 1.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 134' ' ' THR . 6.4 tt0 -114.4 171.83 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 1.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 136.6 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.407 HG11 HD12 ' A' ' 103' ' ' ILE . 15.5 m -135.26 135.88 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.437 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.5 p-10 -118.44 143.89 46.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.04 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 1.0 109.36 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.95 -0.99 7.84 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 1.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.74 137.53 44.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 0.757 . . . . 1.0 109.214 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.911 HG21 ' CE1' ' A' ' 102' ' ' PHE . 85.0 m -54.07 141.12 29.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 1.0 110.37 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.006 HD13 HG21 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -114.01 -31.79 6.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.422 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 26.3 p -177.78 -168.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 108.261 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.787 HG23 ' O ' ' A' ' 125' ' ' ASN . 4.9 mt -136.79 146.11 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 1.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.76 HG11 ' CG ' ' A' ' 87' ' ' MET . 16.2 t -124.48 130.15 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 1.0 109.346 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -102.2 139.95 37.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 110.222 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -135.89 -176.13 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 120' ' ' ALA . 2.4 ptp -37.37 94.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 111.057 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 120' ' ' ALA . 13.3 pttt 39.94 57.98 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 1.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -159.41 133.94 7.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 1.0 111.019 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.68 123.92 48.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.787 ' O ' HG23 ' A' ' 117' ' ' ILE . 8.2 m-80 -127.12 153.92 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -114.19 160.64 18.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 110.289 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.782 ' CG2' HD21 ' A' ' 115' ' ' LEU . 2.3 mm -118.58 117.89 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -95.11 116.11 28.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.14 133.15 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 1.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -113.82 3.88 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 1.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.514 ' HB2' ' CG ' ' A' ' 81' ' ' HIS . 2.7 mptt -155.31 89.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 1.0 109.322 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 77.2 p -39.12 155.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.23 -173.0 45.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.094 . . . . 1.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.742 ' O ' HG12 ' A' ' 135' ' ' VAL . 2.1 m -130.13 69.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.597 0.822 . . . . 1.0 110.383 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 134' ' ' THR . 6.6 p 50.57 177.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 1.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.69 ' H ' HG22 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -167.81 -43.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.272 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 165.07 133.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.815 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.58 133.87 45.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 1.0 109.278 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.07 -44.71 4.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.7 p -74.89 158.86 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.05 161.69 15.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.8 p -72.82 95.02 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 116.83 -5.39 18.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.549 1.155 . . . . 1.0 111.024 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.464 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -78.61 150.95 76.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 1.0 110.23 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.0 Cg_endo -75.0 157.42 42.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.528 1.804 . . . . 1.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.8 m -139.36 157.23 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 1.0 109.3 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.795 ' HA ' HG13 ' A' ' 88' ' ' VAL . 23.3 tt0 -127.99 149.66 50.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.87 ' H ' HG22 ' A' ' 88' ' ' VAL . 6.9 t80 -60.68 138.18 58.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 1.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 10.6 t70 85.01 -8.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 1.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 14.9 mm-40 -92.15 145.74 31.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 1.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.3 Cg_endo -75.03 163.91 34.34 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.809 . . . . 1.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.84 HD21 ' HB2' ' A' ' 85' ' ' SER . 18.3 mt -128.47 -75.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.815 HG22 HG23 ' A' ' 138' ' ' ILE . 6.1 t -128.76 142.68 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.682 HG13 HG12 ' A' ' 82' ' ' ILE . 2.7 t -99.77 124.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.474 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.7 mp -113.12 157.05 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 1.0 110.387 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.42 0.152 . . . . 1.0 111.018 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -43.91 138.58 2.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 1.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.84 80.96 0.23 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.598 1.186 . . . . 1.0 109.35 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 58.66 4.94 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.511 1.795 . . . . 1.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.07 101.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.245 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.35 173.28 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 1.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 62.05 66.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 1.0 109.373 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' ILE . 2.2 tt0 -157.69 114.93 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.736 HG23 ' N ' ' A' ' 79' ' ' SER . 1.5 tp 44.68 -167.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.736 ' N ' HG23 ' A' ' 78' ' ' ILE . 1.5 m 87.93 -41.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 1.0 109.913 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.449 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -46.35 162.1 0.18 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.565 1.165 . . . . 1.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 1.023 ' CE1' HD13 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -126.94 162.89 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 1.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.977 ' CD1' HG13 ' A' ' 154' ' ' VAL . 15.4 mm -126.14 124.08 65.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.709 HG23 ' CE1' ' A' ' 81' ' ' HIS . 9.2 t -94.89 118.61 41.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 76.6 mtm-85 -109.21 130.08 55.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 1.0 110.354 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.769 ' CA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -50.62 106.55 0.66 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 1.0 110.047 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.41 8.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.79 . . . . 1.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.9 mmm -155.48 128.85 8.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.404 1.065 . . . . 1.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.823 HG22 ' H ' ' A' ' 148' ' ' PHE . 11.8 t -64.84 139.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.273 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.44 -124.5 1.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 1.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 62.9 m -125.84 170.01 12.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 1.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.783 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.4 t80 -141.47 143.19 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.8 m-85 -136.17 155.41 50.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.51 ' HD3' HG21 ' A' ' 138' ' ' ILE . 19.4 mmm180 -101.19 -15.9 17.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.97 HG22 ' HA ' ' A' ' 101' ' ' ALA . 65.3 p -133.48 155.55 80.55 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 110.319 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.11 12.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 1.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -148.68 177.9 1.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 1.0 110.08 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -45.45 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 1.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -98.55 48.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.32 155.2 48.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 166.53 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 1.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.97 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -87.21 135.08 33.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 1.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.819 ' CE1' HG21 ' A' ' 114' ' ' THR . 14.8 m-85 -56.17 -40.06 73.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.885 HD12 HG11 ' A' ' 109' ' ' VAL . 5.2 mm -129.73 84.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.13 114.23 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.9 t -39.96 117.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.119 . . . . 1.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.635 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 102.92 15.69 23.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.381 1.05 . . . . 1.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -113.39 169.95 8.59 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 0.754 . . . . 1.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 133' ' ' GLY . 0.0 OUTLIER -119.13 154.47 33.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 1.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.885 HG11 HD12 ' A' ' 103' ' ' ILE . 34.5 m -135.23 146.7 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.229 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 52.6 t-20 -125.2 148.04 48.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 1.0 109.381 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.7 p -40.35 109.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 109.21 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.63 -13.08 7.34 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.541 1.151 . . . . 1.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.71 135.95 35.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.819 HG21 ' CE1' ' A' ' 102' ' ' PHE . 87.0 m -48.04 174.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 1.0 110.393 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.697 HD13 ' HB2' ' A' ' 129' ' ' ALA . 5.4 tp -138.08 -46.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.3 p -176.35 -172.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 1.0 108.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' ' 125' ' ' ASN . 3.9 mt -129.42 152.1 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.228 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.48 ' CG2' HD11 ' A' ' 127' ' ' ILE . 4.3 t -135.36 132.05 52.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.42 142.26 31.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 110.257 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -138.37 -176.19 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 122' ' ' LYS . 2.5 mtt -37.72 93.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 39.91 57.64 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 1.0 109.237 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.98 150.11 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.427 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -118.41 134.03 55.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 1.0 111.012 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.586 ' O ' HG23 ' A' ' 117' ' ' ILE . 5.4 m-80 -130.15 151.21 50.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 1.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.34 152.22 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 1.0 110.246 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.48 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.5 mt -115.15 116.76 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -99.35 133.03 44.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.697 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -51.09 140.33 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 1.0 109.259 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -122.82 16.31 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 1.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -174.91 97.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.0 109.33 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 78.2 p -40.82 142.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 1.0 109.982 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.424 ' O ' ' CD ' ' A' ' 108' ' ' LYS . . . 178.76 178.37 48.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.501 1.126 . . . . 1.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 155' ' ' ILE . 0.9 OUTLIER -113.2 154.45 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 1.0 110.351 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.635 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.8 p -43.82 165.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 1.0 109.373 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -150.85 -49.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 1.0 109.305 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 174.86 132.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 1.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 1.082 HG23 HG22 ' A' ' 153' ' ' VAL . 2.7 mm -100.67 113.67 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.793 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -81.4 -44.22 17.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.56 HG13 ' CE1' ' A' ' 91' ' ' PHE . 9.8 p -79.57 167.21 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.489 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.1 mt-10 -120.81 170.9 9.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 12.5 t -81.02 95.39 6.8 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.542 1.151 . . . . 1.0 109.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 115.33 -4.91 21.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 1.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.47 150.54 73.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 1.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.02 160.29 40.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 1.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 91' ' ' PHE . 6.1 m -139.92 156.57 25.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 1.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.531 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.4 OUTLIER -128.9 154.2 46.75 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 1.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.823 ' H ' HG22 ' A' ' 88' ' ' VAL . 15.0 t80 -62.71 135.2 57.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 10.7 t70 83.71 -6.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 1.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.47 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 37.8 mm-40 -87.74 149.78 46.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 1.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.793 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.99 168.28 25.2 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.435 1.755 . . . . 1.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.769 HD11 ' CA ' ' A' ' 85' ' ' SER . 54.1 mt -139.2 -79.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 1.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 1.082 HG22 HG23 ' A' ' 138' ' ' ILE . 19.1 t -120.36 139.6 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.977 HG13 ' CD1' ' A' ' 82' ' ' ILE . 66.3 t -107.79 120.4 59.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 1.023 HD13 ' CE1' ' A' ' 81' ' ' HIS . 1.2 mp -105.85 163.52 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.489 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.36 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 65.4 mmm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.567 0.222 . . . . 1.0 110.972 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 179.88 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.33 68.34 1.83 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.38 11.32 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.515 1.797 . . . . 1.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.67 175.66 1.66 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.42 1.075 . . . . 1.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.28 141.54 24.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 1.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -176.96 171.94 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 1.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -147.77 157.0 43.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 1.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.484 HD12 ' CE ' ' A' ' 131' ' ' LYS . 9.2 tp -102.88 153.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.414 1.071 . . . . 1.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.11 79.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 110.075 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.78 119.06 4.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.56 1.163 . . . . 1.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.513 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -128.93 103.29 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 1.0 109.626 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.885 ' CG1' HG13 ' A' ' 154' ' ' VAL . 5.0 mt -90.86 123.91 43.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.475 1.109 . . . . 1.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.523 HG21 HD13 ' A' ' 115' ' ' LEU . 95.8 t -83.38 135.43 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 1.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 2.4 mtm180 -124.33 117.43 24.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 1.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.705 ' HB2' HD21 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -41.12 101.05 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.446 1.761 . . . . 1.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.43 115.23 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 1.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.784 HG22 ' H ' ' A' ' 148' ' ' PHE . 19.4 t -52.02 138.37 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 1.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.71 -124.19 1.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 1.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 91' ' ' PHE . 84.2 m -127.04 170.61 12.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 1.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.71 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.4 t80 -140.52 143.36 35.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 110.951 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 69.8 m-85 -137.36 155.79 48.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 1.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -102.31 -15.14 16.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.961 HG22 ' HA ' ' A' ' 101' ' ' ALA . 81.2 p -131.68 155.53 81.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 1.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.66 19.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 1.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -150.59 168.67 10.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 1.0 110.072 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.31 12.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 1.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.21 34.23 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.419 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -119.66 150.49 40.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 1.0 109.24 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 170.47 0.17 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.961 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -90.01 133.16 34.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.933 ' CE1' HG21 ' A' ' 114' ' ' THR . 12.7 m-85 -54.2 -40.24 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 1.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.718 ' CD1' HG11 ' A' ' 109' ' ' VAL . 20.0 mt -139.35 114.7 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 1.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 4.1 tt0 -93.38 120.05 33.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 1.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 138' ' ' ILE . 92.0 t -40.29 116.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.429 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 110.63 22.16 6.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 1.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.69 165.18 22.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 1.0 110.258 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -109.59 168.75 9.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.718 HG11 ' CD1' ' A' ' 103' ' ' ILE . 16.6 m -149.62 148.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 27.6 p30 -121.33 142.23 50.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 1.0 109.267 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.599 HG23 ' H ' ' A' ' 132' ' ' SER . 3.3 t -40.47 109.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.115 . . . . 1.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.63 -3.47 7.06 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.488 1.118 . . . . 1.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.84 137.54 43.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 1.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.933 HG21 ' CE1' ' A' ' 102' ' ' PHE . 97.7 m -56.29 141.65 40.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.571 1.169 . . . . 1.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.782 HD21 HG22 ' A' ' 127' ' ' ILE . 2.1 pp -112.79 -32.85 6.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.505 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.75 -167.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 108.308 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.435 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.6 mt -136.73 150.82 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 90' ' ' THR . 55.0 t -133.56 130.06 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -92.97 129.42 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 1.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.92 153.88 26.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 7.1 mmm 47.14 42.11 12.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 1.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 121' ' ' MET . 16.2 pttp 48.9 45.96 22.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 1.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 143.77 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 1.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 124' ' ' MET . 1.0 OUTLIER -73.78 137.41 43.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -135.22 96.25 3.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 1.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -65.59 151.32 46.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.312 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.782 HG22 HD21 ' A' ' 115' ' ' LEU . 2.7 mm -119.19 115.84 49.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.103 . . . . 1.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -91.62 126.71 36.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 1.0 110.256 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -41.01 140.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 1.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -121.66 19.54 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 1.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.484 ' CE ' HD12 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -175.09 93.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 1.0 109.264 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.599 ' H ' HG23 ' A' ' 111' ' ' VAL . 60.1 p -39.9 146.53 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 1.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 171.23 -173.2 44.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 1.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 135' ' ' VAL . 3.6 m -116.63 170.66 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 1.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.496 ' N ' HG22 ' A' ' 134' ' ' THR . 7.3 p -55.61 157.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.495 1.122 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.0 OUTLIER -142.21 -47.41 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 1.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.35 133.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.869 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.67 136.08 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -105.67 -47.44 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 1.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.603 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.0 p -85.84 137.97 19.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 1.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.26 178.42 5.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.1 t -77.96 93.42 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 110.026 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.92 -15.95 6.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.457 1.098 . . . . 1.0 111.029 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -66.78 148.92 98.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 1.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.4 Cg_endo -74.92 169.71 22.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.421 1.748 . . . . 1.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' ' 91' ' ' PHE . 28.8 m -147.12 158.22 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 1.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.558 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -131.18 165.79 22.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.0 110.295 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.784 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.6 t80 -66.69 125.28 25.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.3 t70 82.01 -3.8 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 1.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -76.7 144.99 74.13 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 1.0 110.286 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.672 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.1 Cg_endo -75.0 150.22 37.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 1.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.705 HD21 ' HB2' ' A' ' 85' ' ' SER . 28.8 mt -123.41 -77.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.869 HG22 HG23 ' A' ' 138' ' ' ILE . 15.1 t -129.42 139.01 52.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.885 HG13 ' CG1' ' A' ' 82' ' ' ILE . 12.3 t -97.65 121.89 48.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 1.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -111.48 163.88 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.11 . . . . 1.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 40.0 tt0 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 1.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.501 0.191 . . . . 1.0 111.034 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.6 OUTLIER -173.64 73.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.834 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 168.28 -54.69 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 1.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.834 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.96 72.56 4.59 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.494 1.787 . . . . 1.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.45 178.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.072 . . . . 1.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.605 ' O ' ' HB2' ' A' ' 76' ' ' ALA . . . -110.41 -72.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 1.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 75' ' ' ALA . . . 169.74 158.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.349 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 45.32 77.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 1.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.849 HG22 ' H ' ' A' ' 80' ' ' GLY . 74.5 mt 66.58 -86.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 1.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 p 64.23 17.82 10.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.128 . . . . 1.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.849 ' H ' HG22 ' A' ' 78' ' ' ILE . . . -41.93 164.56 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.541 1.15 . . . . 1.0 110.925 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -138.3 123.15 18.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 1.0 109.598 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.916 HG13 HG13 ' A' ' 154' ' ' VAL . 2.2 mp -92.46 120.28 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.92 116.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 1.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -109.19 108.26 18.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 1.0 110.271 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.05 104.12 0.34 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 1.0 110.055 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.53 8.74 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.49 1.784 . . . . 1.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.16 126.84 8.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 1.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.626 HG22 ' HA ' ' A' ' 147' ' ' GLU . 58.1 t -61.6 150.55 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 1.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.95 -116.7 0.76 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.154 . . . . 1.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.458 ' N ' HG22 ' A' ' 146' ' ' VAL . 72.7 m -138.83 165.52 26.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 1.0 110.359 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.837 ' HD2' HD13 ' A' ' 152' ' ' LEU . 3.1 t80 -134.39 135.79 42.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 1.0 110.946 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 58.6 m-85 -132.21 146.19 51.84 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 1.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 19.3 mmm-85 -91.73 -16.07 27.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.946 HG22 ' HA ' ' A' ' 101' ' ' ALA . 69.0 p -136.35 155.34 77.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 110.404 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.464 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.3 Cg_endo -74.96 -11.6 21.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.548 1.815 . . . . 1.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.89 170.73 6.15 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 1.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -24.87 12.49 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.424 1.75 . . . . 1.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -111.68 20.33 17.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.502 1.126 . . . . 1.0 109.291 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' LYS . . . -109.3 148.28 31.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -52.48 -174.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.946 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -108.85 134.38 51.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.959 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 30.5 m-85 -63.39 -36.78 84.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 1.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.505 HG21 HD13 ' A' ' 115' ' ' LEU . 29.3 pt -137.08 115.18 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -98.39 113.25 25.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -40.34 116.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.376 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.618 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.4 20.19 7.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 1.0 111.021 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.07 159.33 34.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 1.0 110.245 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -101.31 168.13 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 133' ' ' GLY . 28.8 m -147.19 144.89 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 1.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.432 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.1 p-10 -134.16 150.99 51.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -40.36 108.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 1.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.56 -25.08 4.54 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 1.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.41 138.33 31.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.791 HG21 ' CD1' ' A' ' 102' ' ' PHE . 86.6 m -59.75 175.1 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.635 HD23 ' HB2' ' A' ' 129' ' ' ALA . 0.3 OUTLIER -135.7 -46.68 0.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 1.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 1.009 ' O ' HD13 ' A' ' 117' ' ' ILE . 27.0 p -174.46 -160.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 108.269 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 1.009 HD13 ' O ' ' A' ' 116' ' ' CYS . 8.9 mm -135.49 150.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 1.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.46 HG23 HG13 ' A' ' 127' ' ' ILE . 56.8 t -134.4 119.83 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 109.241 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -89.39 127.37 35.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 1.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.55 167.79 7.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 7.0 mtt 52.06 44.61 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 45.06 35.13 1.48 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 1.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.85 172.26 17.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 1.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.64 127.09 53.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 117' ' ' ILE . 9.0 m-80 -118.38 154.27 32.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.82 ' HG3' HD12 ' A' ' 117' ' ' ILE . 0.9 OUTLIER -111.62 150.49 30.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 1.0 110.269 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.46 HG13 HG23 ' A' ' 118' ' ' VAL . 4.7 mm -113.84 116.06 51.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 1.0 109.327 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -97.59 139.2 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.421 1.076 . . . . 1.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.635 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -43.88 133.07 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -121.03 15.47 11.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 1.0 109.357 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 6.9 tttp -176.96 88.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 1.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 81.6 p -39.25 135.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 110.002 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 177.04 -173.22 46.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.549 1.156 . . . . 1.0 111.015 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.0 OUTLIER -109.41 168.22 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 1.0 110.373 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.618 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.0 p -63.29 143.54 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 1.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.692 ' HD3' HG12 ' A' ' 154' ' ' VAL . 1.0 OUTLIER -119.62 -45.17 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.55 133.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 1.01 HG23 HG22 ' A' ' 153' ' ' VAL . 1.4 mt -98.69 135.25 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.04 -44.06 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 1.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.2 p -70.36 137.82 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 1.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 144' ' ' GLN . 0.2 OUTLIER -100.81 119.52 38.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 1.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.446 ' HB2' ' CG ' ' A' ' 93' ' ' ARG . 18.6 t -38.74 101.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 1.0 109.968 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 121.4 -5.08 10.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 1.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 141' ' ' GLU . 0.1 OUTLIER -87.35 151.77 51.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.408 0.71 . . . . 1.0 110.271 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 150.66 38.19 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 1.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.728 HG12 ' CD2' ' A' ' 152' ' ' LEU . 5.4 m -119.02 158.21 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.626 ' HA ' HG22 ' A' ' 88' ' ' VAL . 3.7 mt-10 -134.27 165.06 25.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.537 ' N ' HG22 ' A' ' 88' ' ' VAL . 22.6 t80 -59.05 138.41 57.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 1.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 55.37 19.14 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 1.0 109.239 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 36.2 tp10 -86.67 135.11 36.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.371 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 142.39 27.9 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.47 1.773 . . . . 1.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.837 HD13 ' HD2' ' A' ' 91' ' ' PHE . 70.8 mt -119.23 -80.32 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 1.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 1.01 HG22 HG23 ' A' ' 138' ' ' ILE . 8.7 t -117.89 150.28 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.916 HG13 HG13 ' A' ' 82' ' ' ILE . 21.3 t -106.85 126.56 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 1.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.458 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 2.0 mp -117.98 161.39 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.643 ' OE1' HG23 ' A' ' 78' ' ' ILE . 4.0 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 1.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.478 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.532 0.206 . . . . 1.0 111.032 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 70' ' ' MET . 7.7 pt-20 47.41 -174.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 1.0 110.302 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.98 69.47 1.22 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.258 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.02 10.47 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.483 1.78 . . . . 1.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.65 174.54 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 1.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.64 126.81 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 1.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.12 -61.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.75 110.98 0.09 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.623 1.202 . . . . 1.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.727 ' H ' HD13 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -125.45 -177.92 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -106.96 113.51 27.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 1.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.99 121.09 4.28 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.508 1.13 . . . . 1.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.19 103.38 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 1.0 109.655 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.888 HG13 HG13 ' A' ' 154' ' ' VAL . 2.4 mp -88.44 118.72 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 1.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.06 123.72 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.9 mtt85 -105.51 116.29 31.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 1.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.762 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -40.31 100.45 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 1.0 109.985 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 0.42 8.94 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.419 1.747 . . . . 1.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.08 130.64 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.768 HG22 ' H ' ' A' ' 148' ' ' PHE . 6.7 t -66.89 145.85 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 1.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.17 -120.92 1.12 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 1.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 145' ' ' PRO . 46.5 m -128.86 166.7 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 1.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.768 ' HB2' HG11 ' A' ' 146' ' ' VAL . 5.8 t80 -136.89 137.01 39.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 110.989 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.575 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 63.9 m-85 -131.89 153.07 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.403 1.064 . . . . 1.0 111.055 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.846 ' HD2' HG21 ' A' ' 138' ' ' ILE . 3.3 mtp180 -108.69 -18.58 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.956 HG22 ' HA ' ' A' ' 101' ' ' ALA . 36.9 p -136.78 154.74 76.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 1.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.08 19.95 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 1.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.516 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -159.0 178.66 1.61 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.968 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -75.0 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.536 1.808 . . . . 1.0 111.037 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -104.06 35.16 2.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 1.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.53 161.1 18.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 1.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -61.4 168.72 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.956 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -108.45 135.05 50.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 1.177 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.846 ' CE1' HG21 ' A' ' 114' ' ' THR . 26.4 m-85 -61.6 -37.64 84.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 1.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.9 pt -137.07 73.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.75 118.89 8.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.251 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.1 t -40.5 116.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 1.0 109.252 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.696 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 106.5 12.46 24.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 1.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -112.91 171.09 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.406 0.709 . . . . 1.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.721 ' HG2' HG23 ' A' ' 134' ' ' THR . 0.0 OUTLIER -119.92 168.22 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 1.0 109.223 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.7 m -146.72 141.11 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.368 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -122.82 149.28 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.4 109.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 1.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.03 -16.15 8.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 1.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.28 136.18 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 1.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.846 HG21 ' CE1' ' A' ' 102' ' ' PHE . 87.5 m -47.89 174.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 110.441 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.525 ' H ' HG22 ' A' ' 114' ' ' THR . 6.8 tp -138.58 -46.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.591 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -177.87 -167.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 125' ' ' ASN . 3.5 mt -134.95 148.03 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 1.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 90' ' ' THR . 41.5 t -129.32 128.29 66.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.536 1.148 . . . . 1.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.35 135.2 42.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 1.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -133.41 -176.24 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -37.99 93.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 39.88 57.4 2.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.497 1.123 . . . . 1.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -159.26 128.24 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.5 mtt -102.68 121.77 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.736 ' O ' HG23 ' A' ' 117' ' ' ILE . 7.9 m-80 -124.54 158.51 32.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.597 1.186 . . . . 1.0 109.212 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -116.65 167.04 11.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 1.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 115' ' ' LEU . 4.4 mm -128.2 115.97 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -95.65 145.15 25.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 1.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.489 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -60.45 134.05 56.69 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.136 . . . . 1.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -116.84 15.31 15.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.439 ' NZ ' ' O ' ' A' ' 78' ' ' ILE . 1.7 tmtt? -174.93 93.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 1.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 83.8 p -39.95 137.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.96 -173.27 43.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 1.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.721 HG23 ' HG2' ' A' ' 108' ' ' LYS . 6.9 m -110.55 -174.33 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 0.726 . . . . 1.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.701 ' H ' HG22 ' A' ' 134' ' ' THR . 10.4 p -78.65 142.79 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 1.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.84 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -121.58 -47.18 2.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 1.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.81 133.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.846 HG21 ' HD2' ' A' ' 93' ' ' ARG . 1.6 mt -99.59 117.65 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 1.034 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -87.87 -43.1 12.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' A' ' 91' ' ' PHE . 10.8 p -81.62 137.94 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.418 ' HA ' ' NH1' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -89.95 151.78 21.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.9 t -64.88 85.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 131.67 -5.49 5.5 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 1.0 111.028 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -81.1 150.94 69.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.544 0.791 . . . . 1.0 110.32 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.3 Cg_endo -74.89 158.8 42.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 1.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.768 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.7 m -138.86 158.69 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 1.0 109.302 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.76 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.2 tt0 -128.23 159.92 33.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.768 ' H ' HG22 ' A' ' 88' ' ' VAL . 22.3 t80 -65.33 130.71 44.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 1.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 18.9 t0 83.2 -5.6 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.22 146.88 52.18 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.51 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.05 147.42 33.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 1.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' A' ' 85' ' ' SER . 90.0 mt -116.47 -79.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.463 1.102 . . . . 1.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.759 HG22 HG23 ' A' ' 138' ' ' ILE . 11.0 t -124.23 151.87 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 1.034 HG23 HD21 ' A' ' 139' ' ' LEU . 14.9 t -106.37 124.08 61.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.464 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.5 mp -114.01 159.9 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 1.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.433 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.6 tm-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 110.239 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.478 0.18 . . . . 1.0 111.059 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -144.26 60.12 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.65 99.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 1.0 109.269 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.01 128.74 11.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.555 1.818 . . . . 1.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.9 -61.05 0.63 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 1.0 109.373 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -177.1 174.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 1.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 63.33 119.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 109.394 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.64 144.63 50.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 1.0 110.35 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.512 HD13 ' N ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -136.83 113.25 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.512 ' N ' HD13 ' A' ' 78' ' ' ILE . 8.2 t -126.45 150.51 48.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 1.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.23 98.58 1.73 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 1.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -118.48 161.18 20.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 1.0 109.57 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.988 ' CD1' HG13 ' A' ' 154' ' ' VAL . 8.6 mm -137.48 120.86 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 1.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.499 HG12 HD12 ' A' ' 152' ' ' LEU . 61.2 t -86.98 116.37 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 1.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -105.33 122.36 45.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 1.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.823 ' HA ' HD11 ' A' ' 152' ' ' LEU . 5.9 t -45.96 105.45 0.47 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 1.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.43 8.9 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 1.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -160.13 134.66 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 1.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.88 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.0 t -68.72 139.53 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 109.253 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.18 -122.3 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 1.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 91' ' ' PHE . 59.4 m -130.63 169.09 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 0.811 . . . . 1.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.795 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.6 t80 -138.93 138.39 37.32 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 1.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.486 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 66.6 m-85 -129.6 161.31 30.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.607 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 7.0 mmm-85 -110.76 -14.2 14.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 1.0 110.305 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.951 HG22 ' HA ' ' A' ' 101' ' ' ALA . 46.2 p -134.51 155.4 79.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 1.0 110.437 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.27 9.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 1.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.508 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.92 178.67 1.37 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.05 -41.96 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.465 1.771 . . . . 1.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -99.95 36.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 1.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -118.96 154.29 33.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.385 1.053 . . . . 1.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -66.59 166.69 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.951 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -88.06 133.59 33.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 1.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.909 ' CE1' HG21 ' A' ' 114' ' ' THR . 20.1 m-85 -56.67 -39.13 73.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 1.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.61 93.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.384 1.052 . . . . 1.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.28 125.03 28.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.0 110.25 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.411 ' HA ' HG21 ' A' ' 135' ' ' VAL . 60.8 t -40.26 116.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 1.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.697 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.34 13.28 10.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 1.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -122.61 171.15 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 0.739 . . . . 1.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.437 ' C ' HG13 ' A' ' 109' ' ' VAL . 1.4 pttt -118.02 178.56 4.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 1.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.618 HG21 HD21 ' A' ' 115' ' ' LEU . 31.6 m -154.45 144.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 1.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -118.42 171.91 7.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 1.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.94 108.95 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 1.0 109.369 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.15 -8.04 12.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.563 1.165 . . . . 1.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.46 135.55 34.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 0.712 . . . . 1.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.909 HG21 ' CE1' ' A' ' 102' ' ' PHE . 92.0 m -57.88 147.27 29.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 1.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 129' ' ' ALA . 6.5 mt -114.64 -36.45 4.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 1.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.675 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 174.06 -173.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 1.0 108.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.429 HG13 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -127.35 161.61 34.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 1.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.496 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.0 t -146.27 128.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.4 tt0 -84.18 132.62 34.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -161.46 151.69 17.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 1.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.493 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 8.2 mmm 47.51 43.16 15.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 1.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 121' ' ' MET . 9.4 pttm 49.08 44.86 23.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.449 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 2.0 mmt -163.0 140.77 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 1.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -68.34 142.68 55.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 1.0 111.058 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 123' ' ' MET . 20.7 m-80 -136.9 103.27 5.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.579 1.174 . . . . 1.0 109.369 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -69.32 157.49 36.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.148 . . . . 1.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.496 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -125.89 117.2 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -90.86 129.28 36.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.63 ' HA ' HD12 ' A' ' 115' ' ' LEU . . . -40.45 133.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 1.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.13 14.92 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -174.31 88.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' LYS . 10.3 m -39.17 137.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 1.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.88 -174.71 46.18 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.51 1.131 . . . . 1.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -114.27 168.77 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 0.803 . . . . 1.0 110.393 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.697 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.7 p -59.14 158.12 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 1.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 16.1 tptt -145.22 -46.92 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 1.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.07 132.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 1.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.931 HG23 HG22 ' A' ' 153' ' ' VAL . 0.8 OUTLIER -104.57 128.02 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.716 HD21 HG23 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -94.86 -46.98 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 1.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.616 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.6 p -79.49 148.13 6.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.52 169.9 8.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 1.0 110.283 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 18.2 t -77.49 87.51 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.486 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.35 -5.54 7.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.96 150.67 75.35 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.533 0.784 . . . . 1.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.01 158.74 41.98 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.537 1.809 . . . . 1.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.795 HG11 ' HB2' ' A' ' 91' ' ' PHE . 4.0 m -138.45 157.42 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 1.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.64 ' HG3' HG13 ' A' ' 88' ' ' VAL . 5.5 mp0 -131.66 151.08 51.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 1.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.88 ' H ' HG22 ' A' ' 88' ' ' VAL . 8.3 t80 -61.32 136.74 58.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 1.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.8 t70 84.33 -7.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.46 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 4.1 mt-10 -92.23 148.95 37.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 1.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.594 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -75.0 160.8 39.73 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.509 1.794 . . . . 1.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.823 HD11 ' HA ' ' A' ' 85' ' ' SER . 59.5 mt -127.26 -76.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.931 HG22 HG23 ' A' ' 138' ' ' ILE . 34.7 t -125.72 137.97 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.988 HG13 ' CD1' ' A' ' 82' ' ' ILE . 38.5 t -96.31 124.66 49.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.8 mp -108.67 164.27 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.5 ' CG ' ' HB ' ' A' ' 134' ' ' THR . 7.3 pt-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 1.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 71' ' ' GLU . 3.3 ttt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.52 0.2 . . . . 1.0 111.022 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 70' ' ' MET . 3.4 pm0 38.98 48.6 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 1.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.844 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -45.71 -54.6 15.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.844 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.08 63.79 6.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 1.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -63.01 -61.2 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 1.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . 74.54 -62.08 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 1.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -163.03 148.38 11.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.65 127.52 32.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 1.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.1 mm 65.57 144.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 p -119.03 -65.72 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 1.0 109.995 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.87 115.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.561 1.163 . . . . 1.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.485 ' CG ' ' N ' ' A' ' 82' ' ' ILE . 26.2 t60 -120.94 166.08 14.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 1.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.485 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 14.6 mt -141.09 116.53 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 1.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 152' ' ' LEU . 39.3 t -71.47 117.81 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 1.0 109.253 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -104.62 109.74 21.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.068 . . . . 1.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.863 ' HB3' HD11 ' A' ' 152' ' ' LEU . 2.2 p -44.57 105.98 0.49 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 0.75 8.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 1.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.18 133.92 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 1.0 111.006 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.756 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.7 t -77.44 138.86 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 1.0 109.375 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.99 -123.82 1.25 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 1.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 118' ' ' VAL . 21.9 m -122.23 167.93 12.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 1.0 110.433 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.816 ' HD2' HD13 ' A' ' 152' ' ' LEU . 14.4 t80 -137.73 138.5 39.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 1.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.572 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.4 m-85 -136.4 147.59 47.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 1.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.773 ' HD2' HG21 ' A' ' 138' ' ' ILE . 7.0 mtp180 -107.3 -19.26 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 1.017 HG22 ' HA ' ' A' ' 101' ' ' ALA . 40.5 p -136.86 155.14 76.6 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.13 . . . . 1.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -10.94 21.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 1.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.454 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.5 OUTLIER -165.47 172.71 4.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 1.0 110.027 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -27.0 10.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 1.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.04 24.3 12.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -107.64 161.89 14.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 1.0 109.206 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -59.18 176.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 1.0 109.313 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.017 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -116.33 135.2 54.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.871 ' CD1' HG21 ' A' ' 114' ' ' THR . 21.5 m-85 -61.51 -38.07 86.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 pp -128.06 88.78 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.36 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 110.1 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 1.0 110.272 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.0 t -40.23 117.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 1.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.758 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 106.18 6.09 36.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 1.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 165.12 11.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 1.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.62 169.21 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.5 m -147.26 139.1 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.475 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.7 t-20 -124.31 154.67 39.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.24 108.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 1.0 109.403 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.24 -37.98 2.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 1.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.74 135.15 46.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 0.728 . . . . 1.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.871 HG21 ' CD1' ' A' ' 102' ' ' PHE . 94.5 m -53.47 172.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 1.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 115' ' ' LEU . 5.6 mt -135.73 -46.04 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 1.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.509 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 26.8 p -178.13 -160.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 1.0 108.354 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.611 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.5 mt -139.77 154.9 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.514 ' CG2' HD11 ' A' ' 127' ' ' ILE . 47.3 t -140.05 129.25 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.19 125.5 34.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -151.17 149.53 29.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 1.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 11.8 mtp 47.39 43.41 15.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 121' ' ' MET . 1.2 ptpp? 49.09 44.78 23.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.421 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 9.4 tpt -158.95 131.37 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.77 139.82 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 1.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 123' ' ' MET . 54.6 m-80 -137.14 103.57 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 1.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -68.24 156.7 37.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 110.315 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 118' ' ' VAL . 3.5 mt -123.12 115.85 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 1.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.0 132.79 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.5 132.97 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 1.0 109.338 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -123.99 15.15 9.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.8 tttp -172.37 86.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 1.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 84.0 p -39.23 130.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 110.036 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -168.97 -172.28 35.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.567 1.167 . . . . 1.0 111.002 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.763 HG22 ' HB3' ' A' ' 156' ' ' GLU . 14.2 t -123.01 147.39 46.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 0.775 . . . . 1.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.758 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.0 p -41.39 160.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.749 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.5 OUTLIER -150.88 -46.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 1.0 109.369 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.793 ' C ' HD13 ' A' ' 138' ' ' ILE . . . 172.95 133.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 1.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 1.024 HD12 HG13 ' A' ' 153' ' ' VAL . 0.9 OUTLIER -101.66 112.14 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 1.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.884 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -82.19 -40.84 21.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 1.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.674 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.3 p -84.99 140.81 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.389 1.055 . . . . 1.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.8 163.15 12.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 1.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.31 100.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 1.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 118.24 -25.53 8.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 1.0 111.039 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.469 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -58.84 151.81 52.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 1.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.4 Cg_endo -75.08 169.29 22.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.582 1.833 . . . . 1.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.624 HG12 ' CD2' ' A' ' 152' ' ' LEU . 2.0 m -143.02 156.44 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 1.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.679 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.1 tp10 -138.31 156.84 47.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.756 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.8 t80 -59.47 138.23 57.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 1.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.3 t70 72.03 6.27 5.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 1.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.1 tp10 -93.15 136.51 24.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 1.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.551 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.97 143.81 29.6 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.789 . . . . 1.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.863 HD11 ' HB3' ' A' ' 85' ' ' SER . 33.4 mt -114.63 -79.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.603 1.189 . . . . 1.0 109.329 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 1.024 HG13 HD12 ' A' ' 138' ' ' ILE . 54.6 t -112.64 137.77 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.884 HG23 HD21 ' A' ' 139' ' ' LEU . 69.9 t -99.58 124.63 53.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 1.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.3 mm -111.66 163.95 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.763 ' HB3' HG22 ' A' ' 134' ' ' THR . 1.2 tm-20 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.428 1.08 . . . . 1.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.488 0.185 . . . . 1.0 110.998 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.78 -42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.838 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -40.56 -54.58 4.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.838 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -74.96 -65.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.512 1.796 . . . . 1.0 111.074 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 73' ' ' PRO . . . 174.04 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.52 130.03 2.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 1.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.68 -65.41 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.895 ' C ' HD12 ' A' ' 78' ' ' ILE . 1.4 pt-20 -164.44 109.28 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.895 HD12 ' C ' ' A' ' 77' ' ' GLU . 1.2 mp 53.38 21.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 1.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 1.3 t 81.99 -51.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.948 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -43.76 168.31 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 1.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CE1' HD13 ' A' ' 155' ' ' ILE . 4.9 p80 -139.6 122.34 16.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 1.0 109.643 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.528 HD13 ' OE1' ' A' ' 77' ' ' GLU . 4.0 mp -90.73 116.13 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 1.0 109.233 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 152' ' ' LEU . 50.7 t -77.13 117.45 22.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.077 . . . . 1.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -98.5 122.22 41.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 110.363 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.751 ' HA ' HD11 ' A' ' 152' ' ' LEU . 1.4 t -39.05 99.56 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 1.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.14 9.24 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 1.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.45 117.69 3.13 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 1.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.817 HG13 ' HA ' ' A' ' 147' ' ' GLU . 4.6 t -60.67 140.01 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 1.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.99 -117.35 0.78 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.402 1.064 . . . . 1.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.512 ' O ' HG13 ' A' ' 118' ' ' VAL . 88.5 m -129.97 168.4 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 1.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.777 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.7 t80 -140.67 139.59 34.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 62.9 m-85 -131.01 162.21 30.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.5 mmm-85 -109.69 -13.73 14.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 1.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.99 HG22 ' HA ' ' A' ' 101' ' ' ALA . 76.5 p -131.84 155.46 81.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 1.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -24.83 12.51 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.547 1.814 . . . . 1.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -145.51 174.15 3.69 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 -37.82 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 1.0 111.023 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -105.51 45.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.616 1.198 . . . . 1.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.52 153.73 48.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 1.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 166.65 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 1.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.99 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -79.43 133.03 36.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 1.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.779 ' CE1' HG21 ' A' ' 114' ' ' THR . 8.4 m-85 -50.47 -41.85 53.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 1.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.945 ' O ' HD12 ' A' ' 103' ' ' ILE . 2.7 pp -132.8 115.07 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.82 116.46 25.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.358 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.5 t -40.74 116.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.537 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.85 16.41 9.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 1.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -120.65 171.09 8.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.772 . . . . 1.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 166.43 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 1.0 109.388 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.506 HG21 HD11 ' A' ' 115' ' ' LEU . 15.0 m -143.03 138.49 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -118.1 143.26 46.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 1.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.41 109.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.91 -17.42 7.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.51 138.68 31.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 0.771 . . . . 1.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.779 HG21 ' CE1' ' A' ' 102' ' ' PHE . 65.4 m -62.78 144.47 56.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 110.432 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.506 HD11 HG21 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -113.3 -33.93 5.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 1.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.576 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 176.17 -173.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 1.0 108.279 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 118' ' ' VAL . 4.9 mt -126.58 160.5 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 1.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 90' ' ' THR . 24.4 t -145.65 125.81 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 1.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.5 tt0 -84.65 130.55 34.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -158.15 152.26 24.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 1.0 109.372 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.85 19.52 2.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.42 39.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.406 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -157.39 150.37 23.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 1.0 110.961 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -73.99 135.01 43.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.407 1.067 . . . . 1.0 110.985 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 123' ' ' MET . 18.2 m-80 -132.84 102.67 5.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.66 ' HG3' HG23 ' A' ' 114' ' ' THR . 29.8 tt0 -66.48 157.79 31.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.354 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.467 ' N ' ' CG ' ' A' ' 126' ' ' GLN . 2.8 mm -122.45 115.73 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -92.57 129.86 38.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.07 . . . . 1.0 110.333 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -45.98 143.6 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -123.64 18.16 9.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 1.0 109.282 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.7 tttm 179.83 94.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.7 p -39.42 149.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.497 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 170.65 -172.98 44.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.43 1.082 . . . . 1.0 111.033 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 135' ' ' VAL . 2.5 m -109.8 -175.2 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 0.745 . . . . 1.0 110.383 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.578 ' H ' HG22 ' A' ' 134' ' ' THR . 8.8 p -82.38 138.88 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.664 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -116.92 -46.51 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 109.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.61 140.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 1.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.829 HD12 ' CG1' ' A' ' 153' ' ' VAL . 0.9 OUTLIER -103.55 128.7 56.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.759 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -99.21 -41.99 7.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 1.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.665 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.8 p -83.72 150.35 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -103.89 172.73 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 110.281 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 p -81.01 97.34 7.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 1.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 118.51 -14.46 11.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 1.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.78 150.44 96.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.507 0.769 . . . . 1.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.63 34.97 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 1.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 91' ' ' PHE . 21.7 m -142.13 158.42 20.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 1.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.817 ' HA ' HG13 ' A' ' 88' ' ' VAL . 15.3 tt0 -140.62 154.12 46.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 1.0 110.349 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.809 ' H ' HG22 ' A' ' 88' ' ' VAL . 1.4 t80 -60.85 137.83 58.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 1.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.95 -8.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.0 109.368 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.97 144.53 30.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.747 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -74.98 157.59 42.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 1.0 111.06 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 85' ' ' SER . 74.0 mt -124.4 -81.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 1.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.829 ' CG1' HD12 ' A' ' 138' ' ' ILE . 3.4 t -121.27 144.17 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.575 1.172 . . . . 1.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.759 HG23 HD21 ' A' ' 139' ' ' LEU . 49.9 t -104.05 120.55 54.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 1.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.604 HD13 ' CE1' ' A' ' 81' ' ' HIS . 1.6 mp -105.14 163.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 1.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.2 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.557 0.218 . . . . 1.0 111.002 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 66.22 26.42 10.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 1.0 110.335 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.846 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -76.81 -54.63 1.63 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 1.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.846 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -75.02 56.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.414 1.744 . . . . 1.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . 43.52 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 1.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . 68.94 -67.18 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.579 1.175 . . . . 1.0 109.34 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -40.46 154.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 1.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -136.23 105.37 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 1.0 110.356 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' GLU . 27.2 pt 40.4 78.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.32 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.504 ' CB ' ' C ' ' A' ' 156' ' ' GLU . 0.3 OUTLIER 73.45 -58.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 110.026 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -37.71 100.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.607 1.192 . . . . 1.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.74 103.2 7.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 1.0 109.664 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.638 HG12 HG13 ' A' ' 154' ' ' VAL . 37.4 mt -86.5 122.49 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.773 HG21 HD23 ' A' ' 115' ' ' LEU . 4.7 t -78.66 126.23 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -111.78 117.22 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.698 ' HB2' HD21 ' A' ' 152' ' ' LEU . 2.7 t -48.34 107.12 0.69 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 1.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.53 8.82 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 1.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.09 153.87 42.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.868 HG22 ' H ' ' A' ' 148' ' ' PHE . 6.1 t -94.29 139.12 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 145' ' ' PRO . . . 157.08 -113.51 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 1.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 95.4 m -135.5 166.11 23.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.752 . . . . 1.0 110.384 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.852 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.6 t80 -134.28 139.1 45.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 110.963 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.2 m-85 -132.77 159.23 40.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 1.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.841 ' HD2' HG21 ' A' ' 138' ' ' ILE . 5.9 mtp180 -115.29 -17.79 11.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 110.336 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.983 HG22 ' HA ' ' A' ' 101' ' ' ALA . 57.4 p -136.08 155.39 77.62 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 1.0 110.444 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -13.5 21.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 1.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.51 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -158.98 178.76 1.57 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 1.0 110.03 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 -48.03 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.789 . . . . 1.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -99.87 26.69 6.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.439 ' HB2' ' OG ' ' A' ' 96' ' ' SER . . . -103.02 159.8 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -60.17 168.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.983 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -106.68 137.36 44.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 1.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.843 ' O ' HD13 ' A' ' 103' ' ' ILE . 14.0 m-85 -59.91 -39.56 85.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 1.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 102' ' ' PHE . 4.8 mm -132.7 100.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 107' ' ' GLN . 10.1 pt-20 -81.76 112.29 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 1.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.526 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.8 t -40.36 116.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 1.0 109.348 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.713 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 112.14 8.78 21.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.45 1.094 . . . . 1.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.45 ' HB2' ' CG ' ' A' ' 104' ' ' GLU . 6.3 tt0 -114.89 167.07 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 1.0 110.364 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -111.44 160.28 17.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 1.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.46 HG11 HD12 ' A' ' 103' ' ' ILE . 29.2 m -138.18 143.25 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.6 m-80 -125.64 151.17 46.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.5 p -40.08 109.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 1.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.8 -22.47 6.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 1.0 111.044 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.18 134.53 34.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 0.713 . . . . 1.0 109.206 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.829 HG21 ' CE1' ' A' ' 102' ' ' PHE . 95.4 m -53.87 172.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.773 HD23 HG21 ' A' ' 83' ' ' VAL . 3.7 tp -136.64 -45.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.658 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p -178.86 -173.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 108.237 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.47 HD11 ' CE2' ' A' ' 102' ' ' PHE . 2.7 mt -126.39 160.31 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 1.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 90' ' ' THR . 22.0 t -143.78 122.91 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 1.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.43 129.25 34.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -174.51 170.8 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.7 ptt? 42.39 46.15 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 1.0 111.033 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 tttm 40.94 51.75 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -177.94 161.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 1.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.14 134.31 35.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 1.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -125.56 102.22 7.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -72.37 157.71 37.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 1.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.49 115.76 44.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 1.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -93.23 144.04 25.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.525 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -60.22 135.56 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.13 15.07 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.436 ' HZ1' ' HB2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -169.98 91.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 1.0 109.315 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 88.1 p -39.28 141.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 109.934 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -177.76 -173.35 43.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.445 1.09 . . . . 1.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.1 m -113.85 164.89 13.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 1.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.713 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.2 p -61.98 151.08 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.852 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -130.94 -48.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 1.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.72 141.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.841 HG21 ' HD2' ' A' ' 93' ' ' ARG . 2.3 mt -102.0 123.36 55.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 1.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.862 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -96.48 -43.9 7.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.596 HG13 ' CE1' ' A' ' 91' ' ' PHE . 8.0 p -72.45 137.68 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 142' ' ' SER . 3.8 tm-20 -96.06 104.48 16.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 1.0 110.261 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 141' ' ' GLU . 8.5 p -36.65 104.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 110.063 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 122.44 -4.46 10.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.123 . . . . 1.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -97.39 153.25 38.45 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 1.0 110.276 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 89' ' ' GLY . 18.3 Cg_endo -74.94 138.99 23.93 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.852 HG11 ' HB2' ' A' ' 91' ' ' PHE . 1.8 m -119.35 166.42 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 1.0 109.292 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.655 ' HA ' HG13 ' A' ' 88' ' ' VAL . 27.5 tt0 -135.18 152.65 51.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 1.07 . . . . 1.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.868 ' H ' HG22 ' A' ' 88' ' ' VAL . 6.7 t80 -61.23 137.3 58.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.5 t70 85.46 -8.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.421 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 4.6 mt-10 -90.04 144.42 31.31 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 110.237 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -74.91 165.72 30.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 1.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 85' ' ' SER . 24.0 mt -132.17 -79.48 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 1.0 109.38 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 138' ' ' ILE . 2.0 t -115.58 155.54 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.862 ' CG2' HD21 ' A' ' 139' ' ' LEU . 19.4 t -110.03 123.35 65.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.392 1.058 . . . . 1.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.2 mp -113.04 163.81 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.504 ' C ' ' CB ' ' A' ' 79' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.561 0.219 . . . . 1.0 111.047 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.22 -59.24 2.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 1.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.16 84.92 0.17 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 1.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 156.45 43.05 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.456 1.766 . . . . 1.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.49 82.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 1.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.6 89.77 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -173.58 125.34 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 1.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.814 ' C ' HD13 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -115.26 59.52 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 1.0 110.353 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.814 HD13 ' C ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER 40.98 -160.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.9 p -92.68 -62.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 109.953 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.419 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -44.05 169.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 1.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -115.91 172.9 6.85 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.505 0.767 . . . . 1.0 109.545 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.528 HG12 HG13 ' A' ' 154' ' ' VAL . 69.2 mt -139.46 116.11 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 1.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.891 HG12 HD12 ' A' ' 152' ' ' LEU . 52.5 t -82.54 120.56 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 1.0 109.217 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.679 HH21 ' HA ' ' A' ' 149' ' ' ASP . 68.4 mtp180 -107.15 118.21 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 1.0 110.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.901 ' OG ' HD21 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -38.71 99.24 0.19 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 110.014 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -74.98 -1.07 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.799 . . . . 1.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.03 121.27 6.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 1.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 148' ' ' PHE . 21.5 t -62.4 143.96 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 1.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.92 -118.32 0.87 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 1.0 111.035 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 143' ' ' GLY . 92.0 m -131.49 166.32 21.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 1.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.792 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -137.04 134.14 36.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 59.2 m-85 -126.4 161.96 26.67 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 1.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.5 mmm-85 -110.54 -13.71 14.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 1.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.99 HG22 ' HA ' ' A' ' 101' ' ' ALA . 39.4 p -136.63 155.54 76.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 1.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -10.6 21.23 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.78 . . . . 1.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -159.21 175.46 3.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 110.019 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -32.67 5.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 1.0 111.036 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.87 25.47 10.7 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.515 1.134 . . . . 1.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -103.04 152.56 21.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 1.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -52.6 170.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 1.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.99 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -98.5 133.61 42.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 1.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.958 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 19.8 m-85 -56.93 -39.15 73.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 1.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.1 pt -143.29 124.85 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 1.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -99.35 110.99 23.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 1.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.487 ' HA ' HG21 ' A' ' 135' ' ' VAL . 75.3 t -40.3 116.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.538 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.29 28.65 5.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.085 . . . . 1.0 111.054 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.98 171.08 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 1.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -112.87 113.71 25.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 132' ' ' SER . 26.5 m -107.48 142.76 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 1.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.444 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 95.8 m-20 -124.79 147.54 48.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 1.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.24 109.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.572 1.17 . . . . 1.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.41 -16.49 5.15 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 1.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.87 137.59 33.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 1.0 109.243 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.584 HG21 ' CE1' ' A' ' 102' ' ' PHE . 46.7 m -55.3 176.59 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 1.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.612 HD21 HD11 ' A' ' 155' ' ' ILE . 5.2 tp -136.05 -46.54 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.747 ' O ' HD13 ' A' ' 117' ' ' ILE . 1.2 p -175.9 -173.08 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 1.0 108.284 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.958 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 17.3 mm -124.32 160.82 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 1.0 109.309 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 90' ' ' THR . 6.3 t -143.0 125.62 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -91.09 137.48 32.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 1.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.805 ' HB3' ' CG ' ' A' ' 123' ' ' MET . . . -135.91 -176.13 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 122' ' ' LYS . 1.7 mmt -39.64 93.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 40.02 55.22 2.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.805 ' CG ' ' HB3' ' A' ' 120' ' ' ALA . 5.2 ptp -160.41 150.85 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.0 mtm -115.32 124.95 52.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 1.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.411 ' ND2' ' N ' ' A' ' 125' ' ' ASN . 1.4 m-80 -115.77 143.58 45.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.691 ' HG3' HD12 ' A' ' 117' ' ' ILE . 1.1 mt-30 -110.69 138.86 46.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mm -103.11 116.47 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -102.96 137.32 41.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.478 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -58.04 132.95 55.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 1.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -110.17 13.77 23.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 1.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 3.0 tttt 178.76 112.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.44 1.087 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 58.2 p -39.02 146.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 110.061 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -161.57 -173.16 29.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.18 . . . . 1.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.751 ' O ' HG12 ' A' ' 135' ' ' VAL . 6.5 t -142.26 53.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 0.803 . . . . 1.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 134' ' ' THR . 6.1 p 50.71 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.791 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -166.78 -47.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 1.0 109.283 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.27 133.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.965 HG23 HG22 ' A' ' 153' ' ' VAL . 1.5 mt -100.55 118.73 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -89.84 -36.66 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 1.0 109.369 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' A' ' 91' ' ' PHE . 8.8 p -81.42 159.89 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.89 156.01 23.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.62 93.09 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 1.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 120.55 -23.09 8.07 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.536 1.147 . . . . 1.0 111.051 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -62.61 151.48 83.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.736 . . . . 1.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.5 Cg_endo -74.94 158.24 42.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 1.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.792 HG11 ' HB2' ' A' ' 91' ' ' PHE . 8.7 m -135.8 156.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 1.0 109.346 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.472 ' HA ' HG13 ' A' ' 88' ' ' VAL . 18.5 tp10 -133.08 151.64 52.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.794 ' H ' HG22 ' A' ' 88' ' ' VAL . 11.9 t80 -60.2 138.56 57.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 1.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.679 ' HA ' HH21 ' A' ' 84' ' ' ARG . 0.0 OUTLIER 85.27 -9.13 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 1.0 109.343 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 5.4 mt-10 -91.57 141.9 26.3 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 1.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.487 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.03 161.93 37.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 1.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.901 HD21 ' OG ' ' A' ' 85' ' ' SER . 17.6 mt -124.54 -76.4 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 1.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.965 HG22 HG23 ' A' ' 138' ' ' ILE . 4.1 t -129.24 139.56 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.594 1.184 . . . . 1.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.791 HG12 ' HD3' ' A' ' 136' ' ' LYS . 38.6 t -100.53 129.05 51.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 1.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.612 HD11 HD21 ' A' ' 115' ' ' LEU . 2.4 mp -112.7 167.86 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 1.0 109.391 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.646 ' HB3' HG22 ' A' ' 134' ' ' THR . 2.2 tt0 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 1.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.554 0.216 . . . . 1.0 111.001 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 16.4 mt-10 -65.2 125.23 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 1.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.855 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 167.93 -54.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.855 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.09 58.33 4.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 1.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.03 112.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.14 66.22 8.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.245 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 53.05 177.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 1.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 64.7 70.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 1.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 tp -116.3 60.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.6 1.187 . . . . 1.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.9 p -55.35 -59.4 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 110.049 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.37 126.91 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.555 1.16 . . . . 1.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.654 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -133.35 110.39 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.76 . . . . 1.0 109.517 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.892 ' CD1' HG13 ' A' ' 154' ' ' VAL . 35.9 mm -91.34 116.02 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.854 HG11 HD11 ' A' ' 115' ' ' LEU . 70.6 t -79.68 117.37 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.083 . . . . 1.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -119.17 129.23 54.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.697 ' OG ' HD11 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -57.78 109.77 2.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 110.012 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.51 8.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.501 1.79 . . . . 1.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.2 126.58 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 1.0 111.034 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.787 HG22 ' HA ' ' A' ' 147' ' ' GLU . 19.8 t -49.13 150.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.534 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 161.8 -134.06 3.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 1.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 143' ' ' GLY . 84.8 m -139.17 126.85 21.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.767 . . . . 1.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.643 ' HD2' HD13 ' A' ' 152' ' ' LEU . 4.7 t80 -90.27 133.83 34.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 1.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 40.8 m-85 -130.0 146.69 51.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.542 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 20.5 mmm-85 -95.64 -13.69 24.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 1.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.916 HG22 ' HA ' ' A' ' 101' ' ' ALA . 27.6 p -135.6 155.45 78.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 1.0 110.381 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -25.66 11.66 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.477 1.777 . . . . 1.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.49 177.59 1.77 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 1.0 109.986 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 -41.35 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.511 1.795 . . . . 1.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -108.11 54.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.44 161.12 35.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 167.02 10.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 1.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.916 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.47 133.83 34.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.0 109.371 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' A' ' 114' ' ' THR . 14.0 m-85 -53.26 -40.82 64.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 1.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 22.8 pt -140.6 125.66 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 1.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' VAL . 18.7 mm-40 -102.0 119.72 39.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 1.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' A' ' 135' ' ' VAL . 79.2 t -40.42 116.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 1.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.627 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 115.71 14.93 7.71 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.414 1.071 . . . . 1.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -125.89 165.55 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 1.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 165.39 11.61 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.48 1.112 . . . . 1.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.15 140.29 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 1.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -117.7 146.22 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.41 109.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.45 -11.88 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 1.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.8 137.81 32.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.747 HG23 ' HG3' ' A' ' 126' ' ' GLN . 61.8 m -66.34 142.15 57.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 1.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.035 HD21 HG22 ' A' ' 127' ' ' ILE . 1.3 pp -112.64 -31.99 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 1.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.608 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.1 p -177.39 -170.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 1.0 108.217 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.732 HD13 ' HA ' ' A' ' 126' ' ' GLN . 24.9 mm -130.62 156.37 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 1.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.94 117.4 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 1.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -99.18 133.17 43.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 1.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -167.24 155.54 9.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 1.0 109.399 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.3 mtp 49.93 31.61 4.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 1.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 59.21 44.67 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 1.0 109.355 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -151.07 153.28 34.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.5 ttp -92.3 137.31 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 1.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -137.05 92.13 2.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 1.0 109.357 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.747 ' HG3' HG23 ' A' ' 114' ' ' THR . 29.6 tt0 -65.96 142.61 57.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 1.0 110.313 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 1.035 HG22 HD21 ' A' ' 115' ' ' LEU . 9.0 mm -103.47 115.82 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.21 125.78 41.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.64 133.21 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 109.233 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -115.3 15.08 16.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.2 tmtp? -169.94 88.55 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.09 . . . . 1.0 109.39 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 131' ' ' LYS . 59.8 p -39.3 138.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.52 -173.05 43.55 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 1.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 135' ' ' VAL . 5.5 m -111.59 169.07 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 1.0 110.447 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.627 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.0 p -63.7 141.74 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 1.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.776 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -121.93 -45.17 2.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 1.0 109.379 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.76 133.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 1.0 109.239 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.954 HG23 HG22 ' A' ' 153' ' ' VAL . 1.4 mt -99.85 133.06 44.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 1.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.415 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -106.95 -44.52 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 1.0 109.287 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.605 HG21 ' HB3' ' A' ' 91' ' ' PHE . 14.4 p -70.66 144.43 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 1.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 143' ' ' GLY . 1.1 tp10 -103.67 140.58 37.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 1.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.6 p -50.18 92.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 1.0 109.975 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 132.26 -24.49 3.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 1.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 148.0 54.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.514 0.773 . . . . 1.0 110.265 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.09 21.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 1.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.753 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.4 m -138.83 159.11 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 1.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.787 ' HA ' HG22 ' A' ' 88' ' ' VAL . 4.1 tt0 -138.94 173.13 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 1.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 15.0 t80 -69.08 114.42 7.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 1.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.31 11.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 1.0 109.319 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.27 145.7 56.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.524 ' O ' HD23 ' A' ' 152' ' ' LEU . 18.1 Cg_endo -75.0 159.04 41.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.563 1.823 . . . . 1.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.697 HD11 ' OG ' ' A' ' 85' ' ' SER . 90.0 mt -136.48 -80.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.954 HG22 HG23 ' A' ' 138' ' ' ILE . 22.0 t -126.58 154.48 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.892 HG13 ' CD1' ' A' ' 82' ' ' ILE . 72.9 t -107.75 122.3 61.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 1.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -115.99 163.77 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.435 1.084 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.49 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 11.7 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.47 0.176 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 72' ' ' ALA . 2.6 tp10 -177.5 -59.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 71' ' ' GLU . . . -39.55 99.96 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 1.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 71' ' ' GLU . 18.2 Cg_endo -75.04 91.68 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.559 1.821 . . . . 1.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.83 157.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.542 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -71.52 77.68 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 1.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . 74.53 -62.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 1.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.04 59.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 1.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.6 tt -174.17 155.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 1.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.417 ' HB3' ' CG ' ' A' ' 156' ' ' GLU . 48.1 m -166.26 90.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 110.059 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.61 93.49 0.1 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 1.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.647 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -115.73 101.15 8.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 0.766 . . . . 1.0 109.55 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.626 HD13 HG13 ' A' ' 154' ' ' VAL . 4.0 mm -82.64 123.8 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 1.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.647 HG22 ' CE1' ' A' ' 81' ' ' HIS . 59.6 t -87.77 116.38 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 1.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -106.71 123.24 47.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 1.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.765 ' HB2' HD21 ' A' ' 152' ' ' LEU . 4.3 t -55.21 108.69 1.24 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.28 9.13 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.504 1.791 . . . . 1.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 ttp -142.07 154.3 44.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.834 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.7 t -94.6 138.79 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 145' ' ' PRO . . . 157.81 -113.76 0.58 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 1.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 86.1 m -136.7 161.5 35.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.382 0.696 . . . . 1.0 110.449 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.825 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -128.18 136.9 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 1.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 50.8 m-85 -132.08 159.7 38.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 1.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.79 ' HD2' HG21 ' A' ' 138' ' ' ILE . 1.0 OUTLIER -114.76 -17.59 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 1.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 1.003 HG22 ' HA ' ' A' ' 101' ' ' ALA . 75.4 p -135.27 155.29 78.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -10.41 21.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.791 . . . . 1.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -163.6 178.79 1.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 110.039 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -50.54 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.557 1.82 . . . . 1.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.46 31.84 2.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 1.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -111.51 154.71 24.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 1.0 109.215 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.87 169.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.003 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -106.49 137.61 44.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 1.0 109.292 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 1.004 ' CD2' HD11 ' A' ' 117' ' ' ILE . 10.7 m-85 -57.9 -40.57 80.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 1.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.587 HD13 HG11 ' A' ' 109' ' ' VAL . 1.1 tp -132.53 103.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.581 1.176 . . . . 1.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -82.34 112.96 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 1.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.579 HG22 HD11 ' A' ' 138' ' ' ILE . 90.1 t -40.06 116.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.651 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.78 11.13 17.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 1.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -117.49 167.32 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 0.776 . . . . 1.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 15.2 tttp -111.22 165.02 12.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 1.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.587 HG11 HD13 ' A' ' 103' ' ' ILE . 28.1 m -143.83 142.83 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 15.8 m-80 -120.94 148.62 43.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.5 p -39.8 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 1.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.48 -19.29 6.32 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.565 1.166 . . . . 1.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.86 135.25 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 0.741 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.836 HG21 ' CE1' ' A' ' 102' ' ' PHE . 94.1 m -52.92 172.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.47 1.106 . . . . 1.0 110.409 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.734 HD23 ' HB2' ' A' ' 129' ' ' ALA . 0.1 OUTLIER -137.51 -45.43 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 1.0 109.353 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.577 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.3 p -174.09 -172.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 108.272 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 1.004 HD11 ' CD2' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -126.23 157.92 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 1.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 90' ' ' THR . 76.8 t -138.48 116.71 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 1.0 109.26 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.47 126.13 35.45 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 1.0 110.244 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -122.69 -175.88 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 1.0 109.336 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -47.29 91.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 1.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 45.91 41.03 7.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 1.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.413 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -146.17 106.77 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 1.0 111.029 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 ttp -80.72 127.98 33.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 1.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 117' ' ' ILE . 3.0 m-80 -126.77 157.57 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -124.76 156.34 37.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 1.0 110.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 115' ' ' LEU . 6.8 mm -115.82 116.36 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 1.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -103.17 126.56 50.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 1.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.734 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -42.12 133.03 3.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 1.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -116.16 12.34 15.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 1.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 4.0 tttt -169.44 93.49 0.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 1.0 109.244 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 72.1 p -38.76 136.7 0.71 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.554 1.159 . . . . 1.0 109.99 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -176.23 -172.6 41.12 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.536 1.147 . . . . 1.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.8 m -113.22 167.01 10.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.795 . . . . 1.0 110.451 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.651 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.4 p -63.22 147.34 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.668 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -124.98 -48.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 1.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.17 134.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.235 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.836 HG23 HG22 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -94.42 126.1 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 1.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.837 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -99.49 -42.83 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 1.0 109.281 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.652 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.7 p -74.93 137.87 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 1.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.434 ' H ' ' NE2' ' A' ' 144' ' ' GLN . 1.2 mt-10 -95.53 104.55 16.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' GLU . 6.5 t -37.6 99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 1.0 110.062 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.92 -5.32 6.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 1.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.434 ' NE2' ' H ' ' A' ' 141' ' ' GLU . 1.5 pt20 -97.24 152.4 38.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 1.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 89' ' ' GLY . 18.4 Cg_endo -75.04 139.33 24.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.584 1.834 . . . . 1.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.825 HG11 ' HB2' ' A' ' 91' ' ' PHE . 1.1 m -120.54 165.78 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 1.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.6 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.1 mt-10 -133.65 155.46 49.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 1.0 110.373 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.834 ' H ' HG22 ' A' ' 88' ' ' VAL . 10.3 t80 -61.33 136.88 58.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 110.971 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 83.98 -6.3 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 1.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 47.6 mm-40 -87.92 148.44 43.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 110.239 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 169.0 23.57 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 1.0 111.013 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.765 HD21 ' HB2' ' A' ' 85' ' ' SER . 28.0 mt -137.56 -81.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 1.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.836 HG22 HG23 ' A' ' 138' ' ' ILE . 24.4 t -117.62 160.93 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 1.0 109.377 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.837 ' CG2' HD21 ' A' ' 139' ' ' LEU . 39.4 t -115.75 122.18 68.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 1.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.537 HD11 HD11 ' A' ' 115' ' ' LEU . 2.2 mp -113.13 163.83 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.498 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 20.5 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.559 0.219 . . . . 1.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -166.83 106.38 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 56.7 92.01 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 101.49 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.448 1.762 . . . . 1.0 111.026 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.79 -61.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 1.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.93 125.36 39.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 1.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 62.8 174.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 64.21 109.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 110.299 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.674 HG22 ' H ' ' A' ' 80' ' ' GLY . 31.9 mt -89.81 145.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 1.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.65 29.74 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 1.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.674 ' H ' HG22 ' A' ' 78' ' ' ILE . . . 70.64 128.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.51 1.131 . . . . 1.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.43 103.22 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 1.0 109.567 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.891 ' CG1' HG13 ' A' ' 154' ' ' VAL . 13.4 mt -90.2 117.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.822 HG21 HD23 ' A' ' 115' ' ' LEU . 27.0 t -66.76 118.21 9.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.553 1.158 . . . . 1.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -105.88 107.21 18.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 1.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.504 ' HB2' HD21 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -42.27 106.51 0.46 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 110.027 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 0.46 8.83 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 1.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.77 156.37 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.167 . . . . 1.0 110.995 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.004 HG13 ' HA ' ' A' ' 147' ' ' GLU . 2.8 t -97.57 140.42 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.96 -117.16 0.76 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.417 1.073 . . . . 1.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 91' ' ' PHE . 54.4 m -131.56 168.28 17.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 1.0 110.464 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.802 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.7 t80 -137.37 136.85 38.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 1.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.566 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 67.4 m-85 -129.97 151.3 50.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 1.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.501 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 21.6 mmm-85 -97.48 -17.09 19.84 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.097 . . . . 1.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.931 HG22 ' HA ' ' A' ' 101' ' ' ALA . 41.3 p -134.46 155.45 79.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.474 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.2 Cg_endo -75.07 -28.31 9.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.59 1.837 . . . . 1.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.92 178.71 1.37 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 1.0 110.008 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.5 Cg_endo -74.99 -47.91 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.466 1.772 . . . . 1.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -97.66 50.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 1.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.71 158.32 42.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 1.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -67.1 171.7 5.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.13 . . . . 1.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.931 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.85 133.49 37.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 1.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.869 ' CD1' HG21 ' A' ' 114' ' ' THR . 25.6 m-85 -58.85 -38.18 78.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 1.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.474 HD12 HG11 ' A' ' 153' ' ' VAL . 15.8 pt -132.11 91.64 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.06 113.3 14.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.359 1.037 . . . . 1.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.416 ' HA ' HG21 ' A' ' 135' ' ' VAL . 55.0 t -40.1 116.18 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.795 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.09 11.12 22.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.453 1.096 . . . . 1.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.48 164.63 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.379 0.693 . . . . 1.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.485 ' C ' ' CD ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -112.34 153.95 26.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 1.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.434 HG21 HD11 ' A' ' 115' ' ' LEU . 23.2 m -129.76 131.11 66.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.414 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 19.0 t-20 -116.18 152.52 33.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.31 108.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 1.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.5 -17.57 8.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.161 . . . . 1.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.71 135.5 33.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 0.805 . . . . 1.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.869 HG21 ' CD1' ' A' ' 102' ' ' PHE . 88.8 m -56.26 174.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.822 HD23 HG21 ' A' ' 83' ' ' VAL . 3.3 tp -136.18 -46.9 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.596 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -178.59 -159.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 1.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.612 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.2 mt -138.59 155.7 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 1.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' THR . 37.2 t -141.18 124.36 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 1.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -83.24 128.54 34.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.17 155.08 26.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 1.0 109.253 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.4 mmm 47.13 42.47 13.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 1.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 121' ' ' MET . 9.6 ptpp? 48.82 45.73 22.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 1.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.64 144.45 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 1.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.3 mtm -74.55 134.25 42.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.533 1.146 . . . . 1.0 111.029 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -129.7 103.1 6.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -68.39 155.71 39.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.7 mm -121.18 115.78 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 1.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -93.67 140.56 29.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 1.0 110.36 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.73 133.02 37.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.95 14.42 14.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -177.25 95.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.1 p -39.21 129.92 1.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 1.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.41 -172.19 26.22 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.423 1.077 . . . . 1.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.4 m -126.74 151.97 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 0.716 . . . . 1.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.795 HG11 ' H ' ' A' ' 106' ' ' GLY . 13.0 p -50.72 137.88 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.684 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -125.04 -41.49 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 1.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.65 132.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 1.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 1.061 HG23 HG22 ' A' ' 153' ' ' VAL . 1.3 mt -98.76 133.64 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.778 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -103.88 -46.13 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.595 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.1 p -71.73 163.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 1.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.421 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.5 OUTLIER -115.4 169.71 8.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 1.0 110.339 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.6 t -83.24 87.81 6.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 1.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 124.84 -5.52 8.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.11 . . . . 1.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -80.25 149.82 69.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.429 0.723 . . . . 1.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 156.99 42.55 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.41 1.742 . . . . 1.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.802 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.8 m -138.83 162.23 28.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 1.004 ' HA ' HG13 ' A' ' 88' ' ' VAL . 9.3 pt-20 -137.89 155.79 48.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.823 ' H ' HG22 ' A' ' 88' ' ' VAL . 20.5 t80 -57.47 139.52 53.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 11.9 t0 81.26 -2.53 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 1.0 109.345 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.43 ' HB2' ' CG ' ' A' ' 147' ' ' GLU . 7.2 tm-20 -92.74 137.03 24.33 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.086 . . . . 1.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 150' ' ' GLU . 18.2 Cg_endo -75.01 156.97 42.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.462 1.77 . . . . 1.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 64.1 mt -119.93 -80.23 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 1.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 1.061 HG22 HG23 ' A' ' 138' ' ' ILE . 40.4 t -117.24 137.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.891 HG13 ' CG1' ' A' ' 82' ' ' ILE . 6.5 t -93.83 122.76 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 1.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 155' ' ' ILE . 15.7 mm -114.91 163.95 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 109.19 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.505 ' CB ' ' CD ' ' A' ' 136' ' ' LYS . 3.2 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 1.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.646 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 36.9 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.505 0.193 . . . . 1.0 110.981 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 60.82 66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.77 154.54 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 1.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.28 2.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.804 . . . . 1.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.61 -63.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 1.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.09 168.71 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 70' ' ' MET . . . 59.41 103.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 1.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 68.86 154.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 1.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 79' ' ' SER . 12.1 mt -83.69 -68.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 1.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER 80.79 36.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 1.0 109.986 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.32 121.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.117 . . . . 1.0 110.96 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -113.63 156.36 23.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 1.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.58 116.18 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 1.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.758 HG12 HD12 ' A' ' 152' ' ' LEU . 51.2 t -83.01 119.98 33.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 1.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -111.79 128.1 56.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 1.0 110.231 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.707 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -50.2 106.36 0.63 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.056 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.4 8.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 1.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 10.6 ptp -166.45 134.48 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 1.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 148' ' ' PHE . 25.8 t -62.3 138.04 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.75 -145.99 9.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 1.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 23.6 m -121.09 121.16 37.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 1.0 110.344 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.595 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 10.1 t80 -85.97 132.22 34.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 48.5 m-85 -128.84 142.91 50.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.069 . . . . 1.0 110.997 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.545 ' HD3' HG21 ' A' ' 138' ' ' ILE . 23.4 mmm-85 -92.8 -15.71 26.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 1.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.945 HG22 ' HA ' ' A' ' 101' ' ' ALA . 66.5 p -132.04 155.46 81.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 1.0 110.405 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -29.3 8.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 1.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -142.65 178.67 1.41 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 1.0 109.966 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.12 -48.31 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 1.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -95.71 43.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 1.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.51 148.74 49.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 1.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.34 169.61 2.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 1.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.945 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -87.48 133.28 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 1.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.936 ' CE1' HG21 ' A' ' 114' ' ' THR . 10.0 m-85 -52.5 -41.12 63.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 pp -141.69 108.59 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 1.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -87.53 126.64 35.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 1.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.627 HG22 HD11 ' A' ' 138' ' ' ILE . 56.1 t -40.29 116.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.666 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 115.03 9.1 13.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 1.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -115.42 168.08 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 1.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.81 175.58 5.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 1.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.789 HG21 HD21 ' A' ' 115' ' ' LEU . 27.3 m -150.74 142.64 16.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 1.0 109.245 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -125.93 148.16 49.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.42 108.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.59 2.85 12.93 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.115 . . . . 1.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.1 136.47 47.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 1.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.936 HG21 ' CE1' ' A' ' 102' ' ' PHE . 87.2 m -62.71 141.38 58.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.789 HD21 HG21 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -112.73 -32.92 6.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 1.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.595 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 30.0 p -179.98 -165.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 1.0 108.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.506 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.9 mt -138.92 155.76 27.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.504 ' CG2' HD11 ' A' ' 127' ' ' ILE . 59.4 t -135.48 122.98 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 1.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -96.44 122.22 39.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 1.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -165.36 171.77 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 15.5 ptm 42.54 45.93 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 1.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 41.61 51.64 3.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 1.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.15 155.38 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 1.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.6 mtm -83.47 144.58 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 1.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -139.42 93.06 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 1.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -64.15 157.17 26.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 1.0 110.259 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.504 HD11 ' CG2' ' A' ' 118' ' ' VAL . 4.5 mm -117.3 115.99 50.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.42 1.075 . . . . 1.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.32 126.15 42.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 1.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.787 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -40.44 133.15 1.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 1.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.69 15.95 14.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 1.0 109.208 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 132' ' ' SER . 7.9 tttm -174.28 89.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 131' ' ' LYS . 82.8 p -39.4 138.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 1.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 178.12 -175.12 47.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 1.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.444 ' HB ' ' CG ' ' A' ' 156' ' ' GLU . 0.9 OUTLIER -113.4 160.27 18.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 0.781 . . . . 1.0 110.371 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.666 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.0 p -50.79 161.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 1.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.554 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -146.72 -48.11 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 109.36 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.61 133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.85 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -105.87 121.9 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 1.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.817 HD21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -91.09 -40.37 11.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 1.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 91' ' ' PHE . 9.4 p -87.05 139.42 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 1.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.418 ' CG ' ' HB2' ' A' ' 144' ' ' GLN . 3.2 pt-20 -103.28 149.33 24.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 1.0 110.242 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.2 p -49.25 99.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 1.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 123.85 -35.56 3.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 1.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 141' ' ' GLU . 0.7 OUTLIER -52.64 134.9 45.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 1.0 110.364 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.4 Cg_endo -74.99 157.78 42.63 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.528 1.804 . . . . 1.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.0 m -136.95 157.89 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 1.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 1.9 tt0 -127.54 167.95 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 110.25 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.662 ' H ' HG22 ' A' ' 88' ' ' VAL . 21.3 t80 -65.22 128.41 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.9 t70 84.31 3.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.476 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 57.4 mm-40 -89.03 151.15 46.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 1.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.634 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.95 161.56 38.68 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.486 1.782 . . . . 1.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.758 HD12 HG12 ' A' ' 83' ' ' VAL . 67.6 mt -129.84 -81.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.85 HG22 HG23 ' A' ' 138' ' ' ILE . 12.5 t -134.38 144.28 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 1.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.817 HG23 HD21 ' A' ' 139' ' ' LEU . 67.1 t -97.58 122.97 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -107.8 163.73 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 13.1 pt-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 1.0 110.26 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 24.1 mmm . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.545 0.212 . . . . 1.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.2 72.94 7.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 1.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.68 92.03 27.72 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 1.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.03 -44.99 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.782 . . . . 1.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 73' ' ' PRO . . . 74.5 -61.97 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.228 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . 72.2 -62.06 0.47 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 1.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.23 131.02 54.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 1.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.739 ' O ' HG22 ' A' ' 78' ' ' ILE . 2.2 mm-40 -138.53 170.83 15.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 1.0 110.354 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 77' ' ' GLU . 4.3 tt 51.8 177.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.78 75.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 1.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -37.77 157.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 1.0 110.975 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.611 ' CE1' HD12 ' A' ' 155' ' ' ILE . 0.3 OUTLIER -124.82 129.15 49.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 0.709 . . . . 1.0 109.649 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.533 HG13 HG13 ' A' ' 154' ' ' VAL . 2.8 mp -102.49 116.33 45.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 1.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.625 HG12 HD12 ' A' ' 152' ' ' LEU . 21.9 t -73.73 118.39 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 1.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -105.81 123.74 48.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.816 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -43.29 102.5 0.28 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 1.0 109.951 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.5 8.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 1.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.4 mtp -163.02 126.36 2.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.856 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.9 t -59.98 139.22 19.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.37 -125.67 1.47 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.458 1.099 . . . . 1.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.437 ' HB ' ' CB ' ' A' ' 119' ' ' GLU . 87.4 m -126.76 167.42 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 1.0 110.397 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.769 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.9 t80 -139.95 137.68 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.513 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 57.7 m-85 -129.15 157.86 40.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 111.021 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -106.16 -13.65 15.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 1.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 1.014 HG22 ' HA ' ' A' ' 101' ' ' ALA . 43.5 p -135.39 155.67 78.43 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 1.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -10.05 20.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 1.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.2 OUTLIER -158.3 172.8 5.66 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 110.033 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.04 -32.95 4.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 1.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -113.79 23.18 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -101.84 158.8 15.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 1.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 173.94 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.014 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.51 133.08 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.704 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 16.1 m-85 -54.12 -39.64 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.785 HG21 HD23 ' A' ' 115' ' ' LEU . 0.1 OUTLIER -136.44 117.37 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 1.0 109.386 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 1.4 mt-10 -91.24 110.92 22.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 1.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.444 ' HA ' HG21 ' A' ' 135' ' ' VAL . 96.3 t -40.3 116.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.556 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 102.96 29.81 5.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 1.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -120.86 171.09 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.77 . . . . 1.0 110.35 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.0 127.21 53.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 132' ' ' SER . 29.1 m -124.6 144.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.465 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 6.8 m120 -127.14 147.78 50.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 1.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.17 108.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 1.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.67 -15.62 5.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.412 1.07 . . . . 1.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.91 134.05 34.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 1.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.863 HG23 ' CD ' ' A' ' 126' ' ' GLN . 11.3 m -57.46 144.58 36.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 1.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 155' ' ' ILE . 2.7 mt -111.76 -30.43 7.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 1.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.481 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.3 p 176.47 -172.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 108.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.704 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 16.9 mm -126.96 159.47 36.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.492 ' CG2' HD11 ' A' ' 127' ' ' ILE . 2.9 t -142.58 128.56 17.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.097 . . . . 1.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.437 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.5 tt0 -92.18 140.99 29.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 1.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -138.23 -175.96 4.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 1.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.7 mmm -43.19 92.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 120' ' ' ALA . 2.9 mtmp? 40.15 48.51 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.3 ttp -157.12 124.43 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 1.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.3 ttm -88.35 136.91 32.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.496 ' N ' HD22 ' A' ' 125' ' ' ASN . 0.9 OUTLIER -128.53 146.37 50.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 1.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.863 ' CD ' HG23 ' A' ' 114' ' ' THR . 0.3 OUTLIER -117.81 139.3 51.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.271 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.492 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.0 OUTLIER -104.04 117.6 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' ALA . 1.2 pm0 -102.47 126.34 49.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 1.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' GLU . . . -40.23 132.93 1.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 1.0 109.37 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.91 11.32 30.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 1.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 132' ' ' SER . 18.4 ttmt -176.49 106.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.138 . . . . 1.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 53.6 p -39.1 152.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.0 109.943 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.32 -173.27 40.94 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.532 1.145 . . . . 1.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.747 ' O ' HG12 ' A' ' 135' ' ' VAL . 3.5 m -133.56 59.92 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 1.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.747 HG12 ' O ' ' A' ' 134' ' ' THR . 6.7 p 50.67 177.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.68 ' H ' HG22 ' A' ' 135' ' ' VAL . 1.0 OUTLIER -165.3 -50.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 109.364 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.61 136.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.741 HG23 HG22 ' A' ' 153' ' ' VAL . 1.7 mm -98.97 138.76 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 1.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.9 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -106.23 -47.68 3.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 1.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 91' ' ' PHE . 7.5 p -72.41 168.41 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 1.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.534 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.3 tp10 -117.98 160.96 20.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 1.0 110.244 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.4 t -74.63 102.81 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.513 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 105.98 -5.77 39.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 1.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.467 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -78.32 150.07 76.53 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 1.0 110.35 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -74.95 159.27 41.74 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.517 1.799 . . . . 1.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.769 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.2 m -139.37 157.91 27.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 1.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.619 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.8 mt-10 -130.34 155.51 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.856 ' H ' HG22 ' A' ' 88' ' ' VAL . 14.5 t80 -62.45 135.6 57.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 9.2 t70 83.63 -6.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.465 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 29.9 mm-40 -87.6 149.24 45.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.9 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.99 160.43 40.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.422 1.748 . . . . 1.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.816 HD11 ' HA ' ' A' ' 85' ' ' SER . 82.4 mt -132.51 -81.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.573 1.17 . . . . 1.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.741 HG22 HG23 ' A' ' 138' ' ' ILE . 55.5 t -119.6 150.61 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.876 HG23 HD21 ' A' ' 139' ' ' LEU . 43.6 t -116.59 131.3 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 109.361 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 1.07 HD11 HD21 ' A' ' 115' ' ' LEU . 24.9 mt -124.97 164.24 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.3 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.9 ptp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.551 0.215 . . . . 1.0 111.053 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 73' ' ' PRO . 38.2 mm-40 -116.6 -35.64 4.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 1.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' GLU . . . -39.54 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' GLU . 18.4 Cg_endo -74.96 -29.5 8.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.582 1.833 . . . . 1.0 111.079 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.13 108.7 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 1.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -141.55 -81.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 1.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -175.7 81.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.393 1.058 . . . . 1.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 131' ' ' LYS . 1.4 tt0 173.87 50.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 1.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' SER . 4.6 pt 43.72 27.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 1.0 109.239 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' ILE . 5.2 t 39.22 64.55 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 1.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.54 107.61 1.73 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -104.38 156.84 17.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.611 0.83 . . . . 1.0 109.605 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.785 ' CD1' HG13 ' A' ' 154' ' ' VAL . 6.2 mm -132.15 115.79 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 1.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 155' ' ' ILE . 57.8 t -81.14 116.42 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 1.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -105.11 125.09 50.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.426 1.078 . . . . 1.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.838 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -45.46 105.88 0.5 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 1.0 110.05 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.6 8.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 1.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.05 132.84 5.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.824 HG22 ' H ' ' A' ' 148' ' ' PHE . 2.9 t -66.5 140.3 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.29 -122.69 1.18 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 1.0 111.065 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 91' ' ' PHE . 98.7 m -129.14 169.0 15.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 1.0 110.385 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.791 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.7 t80 -139.61 135.62 33.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 69.0 m-85 -128.42 159.73 34.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.463 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 5.0 mmm-85 -109.2 -14.23 14.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 1.0 110.333 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.971 HG22 ' HA ' ' A' ' 101' ' ' ALA . 63.2 p -132.99 155.42 81.16 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 1.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -28.69 8.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.577 1.83 . . . . 1.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.505 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -144.58 178.65 1.38 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 1.0 110.018 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.96 -50.86 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.459 1.768 . . . . 1.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -93.92 45.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.86 165.8 18.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 1.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -75.79 169.05 18.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 1.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.971 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.87 133.13 34.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 1.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.925 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.4 m-85 -54.83 -39.95 69.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.446 1.091 . . . . 1.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 103' ' ' ILE . 5.8 tt -140.31 100.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.503 ' HG2' ' HB3' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -85.79 125.91 33.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.413 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.4 t -39.7 116.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 1.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.7 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 108.69 22.87 6.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.59 1.181 . . . . 1.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.8 164.55 21.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 0.818 . . . . 1.0 110.271 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 109' ' ' VAL . 55.7 tttm -113.8 167.93 10.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 108' ' ' LYS . 34.7 m -148.21 148.99 15.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 1.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 10.2 m-80 -127.45 146.65 50.42 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.45 1.094 . . . . 1.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.479 HG22 ' C ' ' A' ' 130' ' ' ASP . 3.1 t -39.91 108.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 1.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.25 -16.18 7.19 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.424 1.078 . . . . 1.0 111.048 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.54 138.11 31.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 0.795 . . . . 1.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.925 HG21 ' CE1' ' A' ' 102' ' ' PHE . 90.5 m -58.61 141.69 51.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 1.0 110.442 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.818 HD21 ' CG2' ' A' ' 127' ' ' ILE . 0.4 OUTLIER -112.64 -32.64 6.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 115' ' ' LEU . 19.8 p 176.82 -170.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 1.0 108.357 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.47 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.5 mt -133.3 156.82 42.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 1.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.4 t -137.99 133.55 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.4 tt0 -95.25 131.09 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 1.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -169.85 167.09 9.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 1.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.2 ptp 42.51 45.47 3.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 1.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.36 51.68 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.47 154.55 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 111.028 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 mtt -78.0 144.78 36.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 110.964 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.4 97.19 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -69.72 155.12 41.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.818 ' CG2' HD21 ' A' ' 115' ' ' LEU . 1.0 OUTLIER -117.69 117.67 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 1.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -93.68 114.59 26.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.04 133.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.479 ' C ' HG22 ' A' ' 111' ' ' VAL . 31.8 t70 -122.31 11.77 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.466 ' HD3' ' CG ' ' A' ' 77' ' ' GLU . 2.2 tttt -154.54 83.11 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 1.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.476 ' H ' HG23 ' A' ' 111' ' ' VAL . 56.0 p -38.84 137.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 1.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.94 -175.3 46.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 1.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 1.9 m -114.64 169.34 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 1.0 110.385 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.7 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.1 p -62.19 159.29 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -145.48 -47.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.365 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 169.91 132.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 1.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.834 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -101.24 132.0 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.862 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -100.17 -46.63 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 91' ' ' PHE . 7.1 p -76.88 153.39 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.17 167.9 9.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 1.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.0 t -79.87 88.56 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.393 1.058 . . . . 1.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.81 -5.49 7.94 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.575 1.172 . . . . 1.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.469 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -80.43 150.94 71.42 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.505 0.768 . . . . 1.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.4 Cg_endo -75.01 158.44 42.18 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 1.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.791 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.2 m -138.44 158.17 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 1.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.692 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.3 mt-10 -131.91 150.51 52.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.824 ' H ' HG22 ' A' ' 88' ' ' VAL . 8.4 t80 -61.41 136.77 58.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 1.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 3.8 t70 84.77 -7.65 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.458 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.9 mt-10 -91.43 149.24 39.18 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 1.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.638 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.94 163.21 35.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.539 1.81 . . . . 1.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.838 HD11 ' HA ' ' A' ' 85' ' ' SER . 69.0 mt -132.1 -80.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.834 HG22 HG23 ' A' ' 138' ' ' ILE . 23.1 t -120.22 149.01 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.862 ' CG2' HD21 ' A' ' 139' ' ' LEU . 19.1 t -105.23 119.78 54.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.6 mp -103.1 163.93 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 1.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.468 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.558 0.218 . . . . 1.0 110.999 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 70' ' ' MET . 6.6 pt-20 47.22 -173.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 1.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.81 92.0 0.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 168.89 23.83 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.552 1.817 . . . . 1.0 111.063 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 44.75 65.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.66 163.69 8.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.71 -61.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 1.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -149.85 75.67 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.4 tp 40.97 64.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 1.0 109.349 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.479 ' CB ' ' C ' ' A' ' 156' ' ' GLU . 0.4 OUTLIER -43.2 -80.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 1.0 110.037 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' SER . . . -37.19 95.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 1.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 79' ' ' SER . 0.1 OUTLIER -128.8 103.44 7.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 1.0 109.593 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.897 HG13 HG13 ' A' ' 154' ' ' VAL . 4.3 mp -90.98 120.89 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 1.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG12 HD12 ' A' ' 152' ' ' LEU . 97.6 t -74.66 121.83 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -100.8 115.64 30.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 1.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.856 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.4 OUTLIER -40.6 100.7 0.22 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.097 . . . . 1.0 110.03 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 1.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.9 ttt -150.8 123.98 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 1.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.963 HG13 ' HA ' ' A' ' 147' ' ' GLU . 3.4 t -70.75 140.05 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.62 -118.59 0.87 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 69.4 m -124.84 167.84 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 1.0 110.389 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.696 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.9 t80 -140.9 135.7 31.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 1.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.516 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.4 m-85 -127.52 155.28 44.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 1.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.2 mmm-85 -103.04 -13.45 16.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 1.0 110.332 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.95 HG22 ' HA ' ' A' ' 101' ' ' ALA . 73.0 p -130.22 155.54 80.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 1.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.442 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -75.02 -23.21 13.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 1.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.479 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -149.14 176.87 2.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.995 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.95 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 1.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.55 35.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.23 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.35 146.79 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 1.0 109.354 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -63.91 167.44 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 1.0 109.28 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.95 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -77.4 132.89 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 1.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.961 ' CE1' HG21 ' A' ' 114' ' ' THR . 7.4 m-85 -47.87 -42.91 27.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.181 . . . . 1.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' A' ' 102' ' ' PHE . 3.1 mp -138.21 120.51 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 9.9 tp10 -86.57 117.22 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 1.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.706 HG22 HD11 ' A' ' 138' ' ' ILE . 77.0 t -39.74 116.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.79 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 116.4 5.35 16.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -112.62 171.11 7.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 1.0 110.287 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.43 165.36 12.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 1.0 109.256 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.1 137.87 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.447 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 2.3 t-20 -119.6 150.88 39.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.27 109.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.4 -19.82 6.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 1.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.05 136.01 33.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 0.798 . . . . 1.0 109.369 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.961 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.8 m -60.95 155.27 20.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 1.0 110.419 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.553 HD13 ' HB2' ' A' ' 129' ' ' ALA . 2.9 tp -120.02 -41.12 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.499 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 176.97 -173.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.462 HG12 ' CG ' ' A' ' 126' ' ' GLN . 27.2 mt -128.2 158.28 40.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 1.0 109.234 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.506 ' CG2' HD11 ' A' ' 127' ' ' ILE . 25.5 t -139.62 132.27 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.0 tt0 -93.89 130.7 39.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 1.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.96 150.09 27.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 1.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 53.51 19.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 1.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.39 41.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -151.86 146.49 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 1.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 mtm -81.92 131.94 35.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 110.972 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -132.01 110.03 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.462 ' CG ' HG12 ' A' ' 117' ' ' ILE . 12.4 mt-30 -73.54 154.27 39.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 1.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.506 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.8 mt -121.22 116.56 50.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -93.11 129.12 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 1.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.553 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -48.37 133.08 16.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 1.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -121.39 17.78 11.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 1.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -168.61 88.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.447 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 83.0 p -39.18 137.02 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -166.24 -172.14 33.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.092 . . . . 1.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.462 HG22 ' HG2' ' A' ' 156' ' ' GLU . 0.9 OUTLIER -126.63 141.42 51.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 1.0 110.396 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.79 HG11 ' H ' ' A' ' 106' ' ' GLY . 13.3 p -40.14 159.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 1.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.59 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 2.4 tptp -149.65 -45.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.452 1.095 . . . . 1.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.46 132.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 1.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.831 HG23 HG22 ' A' ' 153' ' ' VAL . 0.2 OUTLIER -102.2 125.04 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.917 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -92.29 -44.16 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 1.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.643 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.6 p -79.92 156.93 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 1.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -112.23 173.52 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 1.0 110.254 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.8 t -80.42 97.51 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 1.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.516 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.98 -5.6 23.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 1.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.99 150.28 80.91 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 1.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.5 Cg_endo -74.99 161.33 38.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 1.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.696 HG11 ' HB2' ' A' ' 91' ' ' PHE . 15.8 m -143.03 157.58 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.963 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -136.97 159.11 42.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 110.288 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.583 ' N ' HG22 ' A' ' 88' ' ' VAL . 16.8 t80 -60.85 136.92 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 1.0 111.057 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 82.69 -6.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.389 1.056 . . . . 1.0 109.351 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 3.3 tm-20 -88.32 138.8 30.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 1.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.615 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.93 155.2 43.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.434 1.755 . . . . 1.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.856 HD11 ' HA ' ' A' ' 85' ' ' SER . 59.8 mt -117.94 -81.38 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.831 HG22 HG23 ' A' ' 138' ' ' ILE . 21.1 t -119.74 138.25 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 1.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.917 HG23 HD21 ' A' ' 139' ' ' LEU . 36.1 t -96.59 129.24 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 1.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 135' ' ' VAL . 9.2 mm -118.7 163.85 15.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 1.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 72' ' ' ALA . 14.2 mmm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.494 0.188 . . . . 1.0 111.067 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 68.6 -65.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 1.0 110.322 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' MET . . . -114.71 92.03 27.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.403 1.064 . . . . 1.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.8 4.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 1.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 44.35 78.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.427 1.08 . . . . 1.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -174.66 72.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.35 -61.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.33 169.55 15.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.524 HD13 ' HA ' ' A' ' 78' ' ' ILE . 6.5 mm 63.5 127.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.9 p -179.4 71.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 1.0 110.005 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.421 ' N ' ' HA ' ' A' ' 156' ' ' GLU . . . 136.33 101.72 0.63 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 1.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -147.39 130.4 16.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 1.0 109.641 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.53 HG13 HG13 ' A' ' 154' ' ' VAL . 1.8 mp -96.09 124.61 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 1.0 109.278 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 152' ' ' LEU . 40.0 t -83.07 135.06 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.617 1.198 . . . . 1.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.85 126.52 47.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 1.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.918 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -39.1 99.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 110.021 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 1.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.16 112.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.817 HG22 ' HA ' ' A' ' 147' ' ' GLU . 46.5 t -50.05 137.92 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 1.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.21 -134.02 3.22 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.524 1.14 . . . . 1.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 11.5 m -125.34 122.07 35.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 0.747 . . . . 1.0 110.398 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 4.4 t80 -88.98 130.66 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 1.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 52.3 m-85 -126.7 144.08 51.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.593 ' HD3' HG21 ' A' ' 138' ' ' ILE . 28.0 mmm-85 -91.81 -17.76 24.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 1.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.949 HG22 ' HA ' ' A' ' 101' ' ' ALA . 73.4 p -132.64 155.44 81.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.54 13.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 1.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.32 170.74 7.2 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.86 13.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.428 1.751 . . . . 1.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -113.88 32.5 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 1.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.7 143.8 49.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 1.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -51.22 -179.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.949 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -100.43 133.12 45.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.922 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.0 m-85 -55.16 -39.84 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 1.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.538 HD13 ' CG1' ' A' ' 109' ' ' VAL . 1.9 tp -137.91 106.93 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 2.4 tt0 -90.99 123.16 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 1.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.674 HG22 HD11 ' A' ' 138' ' ' ILE . 60.7 t -40.11 116.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 1.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.709 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.57 23.85 6.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 1.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.85 165.08 22.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 1.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -108.38 175.22 5.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 1.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.538 ' CG1' HD13 ' A' ' 103' ' ' ILE . 15.5 m -150.45 140.04 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -118.06 142.75 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 1.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.56 109.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 1.0 109.26 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.47 4.8 10.65 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 1.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.42 135.6 47.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 1.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.922 HG21 ' CE1' ' A' ' 102' ' ' PHE . 85.8 m -57.81 141.33 49.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 1.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.076 HD21 HG22 ' A' ' 127' ' ' ILE . 3.9 pp -113.46 -32.54 6.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.67 -168.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 1.0 108.322 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.779 HG23 ' O ' ' A' ' 125' ' ' ASN . 4.9 mt -135.96 145.62 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 1.0 109.323 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.4 120.72 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -98.44 126.12 43.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 1.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.62 175.96 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 1.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.5 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 23.0 ptm 42.45 46.41 4.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 41.95 51.5 4.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 24.9 tpp -171.16 144.97 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.6 131.6 37.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 1.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.779 ' O ' HG23 ' A' ' 117' ' ' ILE . 30.1 m-80 -125.16 151.3 45.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 1.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -107.52 153.41 22.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 1.076 HG22 HD21 ' A' ' 115' ' ' LEU . 4.8 mm -114.89 116.53 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -95.65 122.25 38.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 1.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.45 133.16 1.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 1.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.463 ' O ' ' CD ' ' A' ' 131' ' ' LYS . 47.4 t0 -117.14 14.53 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 1.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.463 ' CD ' ' O ' ' A' ' 130' ' ' ASP . 3.1 mptt -163.33 83.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 27.2 p -39.34 144.77 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 1.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 169.31 -173.1 43.67 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.546 1.154 . . . . 1.0 110.939 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.497 HG22 ' N ' ' A' ' 135' ' ' VAL . 4.0 m -108.84 170.41 8.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 1.0 110.411 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.709 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.0 p -61.09 152.41 5.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.482 1.113 . . . . 1.0 109.369 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.642 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -133.99 -47.52 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 1.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.56 133.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.872 HG23 HG22 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -102.58 130.71 52.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 1.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -101.27 -45.28 5.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 1.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.4 p -75.29 140.04 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -100.99 134.12 44.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 110.297 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.9 p -44.43 95.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 1.0 109.963 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 131.6 -34.34 2.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.465 1.103 . . . . 1.0 110.99 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.95 145.86 78.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 1.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.31 27.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 1.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.57 HG11 ' HB2' ' A' ' 91' ' ' PHE . 16.5 m -148.77 163.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.817 ' HA ' HG22 ' A' ' 88' ' ' VAL . 1.2 pt-20 -146.5 168.75 20.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 2.8 t80 -62.81 135.6 57.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.32 -7.69 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 1.0 109.343 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 151' ' ' PRO . 0.0 OUTLIER -86.41 143.39 36.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 1.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.636 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.95 158.46 42.36 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.57 1.826 . . . . 1.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.918 HD11 ' HA ' ' A' ' 85' ' ' SER . 92.8 mt -126.01 -80.27 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 1.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.872 HG22 HG23 ' A' ' 138' ' ' ILE . 6.8 t -133.83 139.29 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 109.204 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.633 HG23 HD21 ' A' ' 139' ' ' LEU . 17.4 t -91.56 123.99 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 1.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -114.92 161.35 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 1.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 14.4 tt0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 1.0 110.283 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.541 0.21 . . . . 1.0 110.977 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -62.1 160.23 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 1.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 71' ' ' GLU . . . 40.53 74.85 0.66 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 1.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 178.8 6.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.791 . . . . 1.0 111.003 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.43 -61.16 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 1.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.2 62.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 1.0 109.378 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 61.93 144.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 1.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 179.26 116.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.268 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.78 ' H ' HD13 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -135.71 43.71 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 42.1 86.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 1.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -40.41 161.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 1.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.764 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.1 121.31 21.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.528 0.781 . . . . 1.0 109.538 -179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.599 HG13 HG13 ' A' ' 154' ' ' VAL . 3.8 mp -85.05 117.0 29.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.764 HG22 ' CE1' ' A' ' 81' ' ' HIS . 8.0 t -66.77 117.17 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 1.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.07 118.84 33.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 1.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.73 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -44.68 103.28 0.33 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 110.021 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 0.51 8.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.491 1.785 . . . . 1.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.18 139.34 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 1.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.8 t -74.83 142.17 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 1.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.26 -121.48 1.07 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.103 . . . . 1.0 111.05 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 91' ' ' PHE . 52.8 m -130.92 170.85 13.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 1.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.756 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.3 t80 -138.21 144.31 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.3 m-85 -138.73 158.85 43.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 1.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.781 ' HD2' HG21 ' A' ' 138' ' ' ILE . 5.0 mtp180 -114.32 -16.98 11.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 1.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.996 HG22 ' HA ' ' A' ' 101' ' ' ALA . 82.5 p -133.57 155.23 80.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 110.418 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.72 19.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.469 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -152.54 176.1 2.58 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 1.0 110.023 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 1.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.38 26.26 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 1.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.6 158.68 16.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.324 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -64.47 167.2 7.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.996 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -95.52 135.21 37.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 1.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.917 ' CE1' HG21 ' A' ' 114' ' ' THR . 9.1 m-85 -53.85 -41.27 67.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 1.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.686 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -132.88 118.59 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 1.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.89 116.3 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -40.3 116.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 1.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.471 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 107.99 23.66 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 1.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.25 166.05 20.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 0.778 . . . . 1.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.432 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 7.3 ttpt -109.16 167.13 10.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.636 HG21 HD11 ' A' ' 115' ' ' LEU . 15.4 m -145.17 147.8 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.607 1.192 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.3 m-80 -123.04 141.79 51.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 1.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.36 108.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.87 -7.29 6.89 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.451 1.095 . . . . 1.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.87 138.52 40.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 0.797 . . . . 1.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.917 HG21 ' CE1' ' A' ' 102' ' ' PHE . 86.6 m -59.1 141.73 53.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.636 HD11 HG21 ' A' ' 109' ' ' VAL . 4.3 tp -113.48 -32.22 6.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 1.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 30.7 p -179.71 -162.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 108.312 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.514 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mt -143.85 158.7 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 1.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.516 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.2 t -144.4 129.27 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -87.25 138.03 31.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 1.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -161.11 148.15 15.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 1.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 89.6 mtp 54.43 19.9 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 1.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 38.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 1.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.9 tpp -152.88 136.98 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 1.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -70.07 134.41 48.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 1.0 111.015 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -131.51 104.89 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 1.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.726 ' CG ' HG23 ' A' ' 114' ' ' THR . 29.8 tt0 -67.55 148.02 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.516 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.9 mt -116.74 116.44 52.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -90.82 137.84 32.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 1.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.12 133.16 19.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.13 14.24 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.229 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -179.23 99.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 60.7 p -39.29 146.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 110.012 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.62 -173.06 45.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 1.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 135' ' ' VAL . 31.5 m -115.85 171.65 7.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 1.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.511 ' N ' HG22 ' A' ' 134' ' ' THR . 9.4 p -60.43 164.85 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 1.0 109.367 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.735 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -147.83 -50.46 0.18 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.563 1.164 . . . . 1.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.17 140.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 1.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.988 HD13 HG13 ' A' ' 153' ' ' VAL . 4.4 mm -106.07 115.75 48.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 1.038 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -86.92 -44.91 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 1.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.635 HG13 ' CE1' ' A' ' 91' ' ' PHE . 11.7 p -88.75 138.64 18.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -89.05 176.49 6.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 1.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.5 t -83.56 87.73 7.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 1.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 130.78 -5.39 5.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.406 1.066 . . . . 1.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -80.01 149.82 70.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 1.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.5 Cg_endo -74.94 161.33 39.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 1.0 111.048 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.756 HG11 ' HB2' ' A' ' 91' ' ' PHE . 11.7 m -139.23 156.96 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.59 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -133.52 152.61 51.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 110.265 -179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.851 ' H ' HG22 ' A' ' 88' ' ' VAL . 16.0 t80 -61.99 135.86 57.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 1.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.1 t70 82.94 -5.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 28.0 mm-40 -90.73 150.23 41.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.692 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.01 151.79 39.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.56 1.821 . . . . 1.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 85' ' ' SER . 70.4 mt -119.04 -81.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.988 HG13 HD13 ' A' ' 138' ' ' ILE . 59.5 t -123.84 153.61 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 1.038 HG23 HD21 ' A' ' 139' ' ' LEU . 36.4 t -107.4 121.91 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -111.92 164.23 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 1.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.506 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 9.6 tt0 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 1.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.482 0.182 . . . . 1.0 111.023 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 65.7 81.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.83 92.01 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 1.0 109.37 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -39.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 1.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 58.77 69.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.5 156.7 34.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 1.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.25 -61.8 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.93 74.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.303 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.61 HG23 ' H ' ' A' ' 79' ' ' SER . 6.4 tt -41.1 -61.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.61 ' H ' HG23 ' A' ' 78' ' ' ILE . 89.5 p 39.76 89.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.412 1.07 . . . . 1.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -47.8 176.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 1.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.407 ' NE2' HG22 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -137.28 123.59 20.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 1.0 109.603 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.967 HD13 HG13 ' A' ' 154' ' ' VAL . 9.5 mm -88.87 122.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.407 HG22 ' NE2' ' A' ' 81' ' ' HIS . 48.9 t -88.2 116.35 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 1.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -102.73 115.87 31.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 1.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.428 ' CB ' HD21 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -40.38 107.16 0.45 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 110.024 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.53 8.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 1.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 ptp -159.44 145.1 15.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 1.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.893 HG13 ' HA ' ' A' ' 147' ' ' GLU . 2.7 t -81.47 140.46 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.15 -125.2 1.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.435 1.084 . . . . 1.0 111.003 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.572 ' O ' HG13 ' A' ' 118' ' ' VAL . 51.7 m -124.66 167.06 15.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 1.0 110.341 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.743 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.7 t80 -140.58 128.03 21.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 1.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.551 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 79.3 m-85 -120.03 168.55 11.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.791 ' NH1' HD12 ' A' ' 138' ' ' ILE . 7.9 mtm180 -114.0 -13.73 12.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 1.0 110.233 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.967 HG22 ' HA ' ' A' ' 101' ' ' ALA . 74.5 p -133.47 155.46 80.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 110.399 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.21 15.03 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.428 1.752 . . . . 1.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.485 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -150.0 177.58 1.79 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.99 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 1.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -98.12 36.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 1.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.45 156.77 26.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -65.51 166.84 9.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.967 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.38 133.23 34.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 1.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.847 ' CE1' HG21 ' A' ' 114' ' ' THR . 19.3 m-85 -56.34 -39.1 72.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 1.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.15 111.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 1.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -96.49 129.55 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 1.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.417 ' HA ' HG21 ' A' ' 135' ' ' VAL . 51.8 t -40.36 116.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.636 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 110.81 24.83 5.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.132 . . . . 1.0 111.083 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -129.79 167.47 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 0.751 . . . . 1.0 110.281 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 172.94 6.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 1.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.682 HG21 HD11 ' A' ' 115' ' ' LEU . 15.8 m -149.17 143.2 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 1.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -121.61 145.62 47.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.27 108.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 1.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.19 25.17 4.22 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 1.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.58 135.0 48.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 1.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.847 HG21 ' CE1' ' A' ' 102' ' ' PHE . 60.1 m -58.47 142.31 49.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 1.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 109' ' ' VAL . 2.8 tp -112.32 -32.29 6.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.445 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 1.5 p 175.95 -173.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 1.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.555 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.6 mt -126.13 161.2 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 1.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 90' ' ' THR . 9.9 t -147.82 130.66 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.417 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.7 tt0 -87.22 126.62 34.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.514 ' HB3' ' ND2' ' A' ' 125' ' ' ASN . . . -155.75 149.25 24.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.6 mmm 47.12 42.31 12.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 121' ' ' MET . 17.3 ptmt 48.99 45.87 22.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.231 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.65 139.6 10.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 1.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.6 mmm -67.18 137.17 56.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 1.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.514 ' ND2' ' HB3' ' A' ' 120' ' ' ALA . 43.4 m-80 -132.52 105.66 7.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 1.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.814 ' CG ' HG23 ' A' ' 114' ' ' THR . 15.3 tt0 -75.59 147.42 39.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 1.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.499 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.4 mt -111.04 116.22 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.359 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -92.6 125.24 37.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.61 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.45 133.01 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.02 14.62 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 1.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 8.7 tttt -173.72 92.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 1.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 131' ' ' LYS . 70.4 p -39.23 142.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.588 1.18 . . . . 1.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 173.76 -173.21 45.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.578 1.173 . . . . 1.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 135' ' ' VAL . 0.9 OUTLIER -116.15 167.31 11.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 1.0 110.44 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.636 HG11 ' H ' ' A' ' 106' ' ' GLY . 11.8 p -52.83 162.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 1.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -149.34 -48.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 1.0 109.341 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.67 133.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 1.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.948 HG23 HG22 ' A' ' 153' ' ' VAL . 1.8 mt -105.04 115.65 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 1.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.936 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -81.69 -45.24 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 1.0 109.362 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.654 HG13 ' CD1' ' A' ' 91' ' ' PHE . 7.9 p -90.83 139.14 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.458 ' HG2' ' CG ' ' A' ' 144' ' ' GLN . 9.6 pt-20 -94.22 173.91 7.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.86 97.95 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 1.0 109.989 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.551 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.1 -36.73 2.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 1.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.458 ' CG ' ' HG2' ' A' ' 141' ' ' GLU . 2.9 mt-30 -48.92 151.2 2.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.583 0.814 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -75.03 175.12 11.66 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 1.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.743 HG11 ' HB2' ' A' ' 91' ' ' PHE . 22.5 m -150.45 157.26 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.06 . . . . 1.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.893 ' HA ' HG13 ' A' ' 88' ' ' VAL . 44.2 tt0 -139.47 149.38 43.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 1.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.876 ' H ' HG22 ' A' ' 88' ' ' VAL . 13.1 t80 -60.23 138.49 57.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 1.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.5 t70 83.84 -6.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.409 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.2 mt-10 -95.06 147.35 32.89 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 1.0 110.222 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.56 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.91 154.71 43.14 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.485 1.781 . . . . 1.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.616 HD13 ' HD2' ' A' ' 91' ' ' PHE . 19.7 mt -117.48 -71.78 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 109.219 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.948 HG22 HG23 ' A' ' 138' ' ' ILE . 43.6 t -134.82 144.56 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.967 HG13 HD13 ' A' ' 82' ' ' ILE . 22.0 t -100.94 122.09 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.9 mp -108.63 163.08 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.491 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.4 pt-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 1.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.5 mtp . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.495 0.188 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.14 79.29 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 1.0 110.267 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -46.24 -53.48 22.68 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 1.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.03 139.72 24.53 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.473 1.775 . . . . 1.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 63.93 61.53 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 1.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -179.43 -173.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 1.0 109.237 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.03 -166.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.576 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.7 OUTLIER 65.65 179.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 110.357 -179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.576 HD12 ' C ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER 50.97 -141.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.325 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.483 ' H ' HG22 ' A' ' 78' ' ' ILE . 0.9 OUTLIER 162.3 43.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.979 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . 50.19 178.02 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 1.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 80' ' ' GLY . 3.9 m-70 -140.91 108.41 5.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 1.0 109.531 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.773 ' CG1' HG13 ' A' ' 154' ' ' VAL . 96.7 mt -84.26 135.46 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.222 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.3 t -106.39 118.04 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.585 1.178 . . . . 1.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' SER . 9.8 mtt180 -95.67 126.39 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 110.384 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.574 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -38.69 104.84 0.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.026 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 0.46 8.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.441 1.758 . . . . 1.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.28 126.63 5.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 1.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.901 HG22 ' H ' ' A' ' 148' ' ' PHE . 17.6 t -64.43 138.37 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.01 -124.04 1.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.573 1.17 . . . . 1.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 91' ' ' PHE . 41.4 m -128.68 167.47 17.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.519 0.776 . . . . 1.0 110.398 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.573 ' CD2' HG11 ' A' ' 140' ' ' VAL . 3.0 t80 -137.3 134.76 36.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.573 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 71.1 m-85 -126.2 155.74 41.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 1.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.417 ' CG ' ' HB2' ' A' ' 142' ' ' SER . 10.0 mmm180 -104.48 -13.72 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 1.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.925 HG22 ' HA ' ' A' ' 101' ' ' ALA . 38.8 p -134.71 155.96 79.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 1.0 110.446 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.4 11.84 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 1.0 111.035 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.461 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -144.88 175.64 2.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 109.97 179.923 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.03 -38.29 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -107.89 44.62 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 1.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.08 160.16 30.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 1.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 164.86 24.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 1.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.925 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -78.15 132.94 37.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.587 ' CE1' HG21 ' A' ' 114' ' ' THR . 12.1 m-85 -49.97 -40.85 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 1.0 111.059 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -134.93 127.69 48.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 1.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -97.86 112.46 24.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' GLU . 65.1 t -40.5 116.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 1.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.541 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 103.47 32.04 4.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 1.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -122.23 171.13 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 1.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -107.73 118.66 37.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 109.245 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 132' ' ' SER . 27.9 m -116.97 138.06 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 1.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 13.7 m120 -131.11 153.13 49.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 1.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.2 t -40.32 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.51 -23.45 4.26 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.503 1.127 . . . . 1.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.27 138.43 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 0.792 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.617 HG23 ' CG ' ' A' ' 126' ' ' GLN . 32.2 m -64.53 150.58 46.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.4 tp -115.09 -36.79 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.558 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.9 p -178.75 -169.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 108.314 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.747 HD13 ' HA ' ' A' ' 126' ' ' GLN . 16.1 mm -131.42 159.04 43.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.508 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.0 t -144.55 130.65 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -88.59 135.19 33.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 1.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -177.32 169.65 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.2 ptp 42.52 45.76 3.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.128 . . . . 1.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.1 mttt 41.47 51.78 3.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.83 161.56 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.8 mtm -79.16 142.07 36.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -133.81 99.75 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.747 ' HA ' HD13 ' A' ' 117' ' ' ILE . 0.2 OUTLIER -72.8 144.54 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 110.268 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.508 HD11 ' CG2' ' A' ' 118' ' ' VAL . 3.2 mt -108.34 115.86 50.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 1.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -90.72 134.94 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 1.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.45 133.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 1.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 131' ' ' LYS . 41.2 m-20 -110.33 14.87 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 130' ' ' ASP . 9.2 mttt 169.67 104.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 52.5 p -39.08 149.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 1.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -174.55 -173.17 40.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 1.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.746 ' O ' HG12 ' A' ' 135' ' ' VAL . 18.4 m -131.91 57.49 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 1.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.746 HG12 ' O ' ' A' ' 134' ' ' THR . 6.4 p 50.56 178.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.692 ' H ' HG22 ' A' ' 135' ' ' VAL . 6.9 tttt -165.94 -50.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.857 ' C ' HD13 ' A' ' 138' ' ' ILE . . . 173.58 137.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 1.048 HG23 HG22 ' A' ' 153' ' ' VAL . 1.0 OUTLIER -103.88 146.47 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 1.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.798 HD23 ' C ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -116.63 -49.14 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.573 HG11 ' CD2' ' A' ' 91' ' ' PHE . 12.1 p -66.03 169.66 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.519 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.1 OUTLIER -116.95 163.57 16.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 1.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.417 ' HB2' ' CG ' ' A' ' 93' ' ' ARG . 5.8 t -83.0 85.16 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 1.0 109.951 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.07 -5.54 7.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.471 1.107 . . . . 1.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.46 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -82.76 151.23 64.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.427 0.722 . . . . 1.0 110.311 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -75.03 167.42 27.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 1.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 145' ' ' PRO . 2.6 m -151.68 158.43 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.552 1.157 . . . . 1.0 109.224 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.548 ' HA ' HG13 ' A' ' 88' ' ' VAL . 6.5 pt-20 -143.14 132.97 23.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 1.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.901 ' H ' HG22 ' A' ' 88' ' ' VAL . 5.2 t80 -34.25 145.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 1.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 86.16 -12.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 109.269 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.44 ' HG3' ' CG ' ' A' ' 147' ' ' GLU . 7.9 mm-40 -95.13 142.86 25.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 1.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.775 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.1 Cg_endo -75.02 159.88 40.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 1.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.574 HD11 ' HA ' ' A' ' 85' ' ' SER . 76.5 mt -125.22 -81.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 1.0 109.239 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 1.048 HG22 HG23 ' A' ' 138' ' ' ILE . 94.4 t -123.51 137.7 55.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.773 HG13 ' CG1' ' A' ' 82' ' ' ILE . 3.0 t -101.95 135.43 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 1.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 156' ' ' GLU . 5.2 mp -113.6 166.07 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.561 1.163 . . . . 1.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.504 ' N ' HG22 ' A' ' 155' ' ' ILE . 9.0 pt-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 1.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.483 0.182 . . . . 1.0 111.006 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.0 OUTLIER 179.14 81.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 1.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.82 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 168.37 -54.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 1.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.96 -62.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 1.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.88 83.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -174.55 101.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 1.0 109.262 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.64 -60.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.63 143.13 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 1.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.9 pt 44.67 -166.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 1.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 97.1 p -179.57 130.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 1.0 110.053 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.453 ' CA ' ' HG3' ' A' ' 156' ' ' GLU . . . 82.53 125.36 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 1.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.459 ' CD2' ' HB2' ' A' ' 131' ' ' LYS . 3.5 t60 -141.32 133.54 27.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.792 . . . . 1.0 109.634 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.641 HG13 HG22 ' A' ' 154' ' ' VAL . 1.8 mp -100.58 120.21 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.592 HG21 HD23 ' A' ' 115' ' ' LEU . 88.3 t -68.97 129.03 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 1.0 109.383 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -115.57 116.63 28.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 1.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.488 ' HB3' HD21 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -42.64 102.05 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 110.015 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.48 8.86 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 1.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.39 132.82 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 147' ' ' GLU . 41.5 t -63.16 143.92 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 1.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 163.48 -138.59 5.39 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.534 1.146 . . . . 1.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 143' ' ' GLY . 7.1 m -124.76 121.99 36.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 1.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.754 ' HD2' HD13 ' A' ' 152' ' ' LEU . 7.1 t80 -87.72 133.91 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 54.9 m-85 -131.48 143.19 50.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 1.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.787 ' HD2' HG21 ' A' ' 138' ' ' ILE . 0.4 OUTLIER -99.31 -19.53 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 110.259 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.948 HG22 ' HA ' ' A' ' 101' ' ' ALA . 74.8 p -132.94 153.42 80.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 110.428 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 -17.19 19.67 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 1.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.25 170.64 7.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 1.0 110.045 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -31.04 6.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 1.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.29 42.36 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 1.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.59 144.86 50.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.07 171.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 1.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.948 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -99.31 135.72 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.946 ' CE1' HG21 ' A' ' 114' ' ' THR . 4.2 m-85 -48.91 -43.86 39.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 111.043 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.7 pt -132.13 120.29 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 1.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' VAL . 13.9 mt-10 -88.68 112.17 22.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 1.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.647 ' CG2' HD11 ' A' ' 138' ' ' ILE . 91.9 t -39.92 115.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 1.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.569 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.55 27.22 5.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.0 111.018 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 134' ' ' THR . 6.3 tt0 -121.82 171.12 9.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 1.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -104.38 132.69 50.35 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.439 1.087 . . . . 1.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 132' ' ' SER . 17.0 m -130.71 132.49 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 9.5 t30 -115.01 147.44 40.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 1.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.64 HG23 ' HA ' ' A' ' 130' ' ' ASP . 2.6 p -40.17 109.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 134.28 -31.48 2.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 1.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.86 135.45 38.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 1.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.946 HG21 ' CE1' ' A' ' 102' ' ' PHE . 64.9 m -55.04 144.35 23.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.041 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.2 tp -114.35 -35.07 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.609 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 31.5 p -177.96 -163.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 108.284 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.487 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.0 mt -140.64 156.41 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 1.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.598 HG21 HD11 ' A' ' 127' ' ' ILE . 94.2 t -136.97 119.55 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 1.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -95.72 125.99 40.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 123' ' ' MET . . . -155.04 161.61 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.3 mtm 53.42 19.12 1.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 1.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.07 41.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 1.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.444 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 4.8 ptt? -162.03 139.03 8.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 1.0 110.974 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.2 ptp -77.49 144.24 37.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -139.15 105.52 5.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -64.75 147.8 52.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.598 HD11 HG21 ' A' ' 118' ' ' VAL . 5.3 mt -114.94 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.19 132.68 34.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 1.0 110.338 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 1.041 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -52.18 133.04 34.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 1.0 109.358 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.64 ' HA ' HG23 ' A' ' 111' ' ' VAL . 8.6 m-20 -125.17 23.48 7.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 1.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 81' ' ' HIS . 6.3 mttp -169.61 81.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 68.9 p -39.2 147.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 1.0 109.926 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -178.56 -172.31 42.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 1.0 111.042 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.691 ' O ' HG12 ' A' ' 135' ' ' VAL . 1.8 p -128.18 60.21 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 0.807 . . . . 1.0 110.398 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.752 HG22 ' H ' ' A' ' 136' ' ' LYS . 4.4 p 49.03 -177.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 1.0 109.273 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.767 ' HB3' HG12 ' A' ' 154' ' ' VAL . 1.5 tptp -171.1 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.18 135.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 1.0 109.249 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.787 HG21 ' HD2' ' A' ' 93' ' ' ARG . 0.9 OUTLIER -103.23 118.96 51.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.77 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -87.14 -46.18 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 1.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 91' ' ' PHE . 13.3 p -82.0 138.46 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 1.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 144' ' ' GLN . 6.7 pt-20 -100.35 137.56 38.6 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.466 1.104 . . . . 1.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.0 p -42.8 100.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 1.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 126.32 -36.19 2.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 1.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 22.3 tt0 -57.01 140.74 77.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 1.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.5 Cg_endo -74.99 163.58 35.08 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.527 1.804 . . . . 1.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.661 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.2 m -142.21 157.96 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.737 ' HA ' HG22 ' A' ' 88' ' ' VAL . 7.8 mp0 -126.95 168.89 13.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 1.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.545 ' H ' HG22 ' A' ' 88' ' ' VAL . 28.4 t80 -65.68 130.54 43.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 1.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.3 t70 82.24 -4.26 1.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 1.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.474 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 1.4 tt0 -80.27 146.3 62.01 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 1.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.581 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.89 151.45 40.11 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.397 1.735 . . . . 1.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.754 HD13 ' HD2' ' A' ' 91' ' ' PHE . 13.3 mt -119.05 -81.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 1.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.783 HG13 ' HA ' ' A' ' 138' ' ' ILE . 6.0 t -133.36 150.13 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 1.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' ' 136' ' ' LYS . 95.4 t -104.36 127.72 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.667 ' CD1' HD21 ' A' ' 115' ' ' LEU . 8.2 mt -119.82 149.37 22.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 1.0 109.282 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.466 ' HB3' ' CE ' ' A' ' 136' ' ' LYS . 17.5 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 1.0 110.256 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.522 0.201 . . . . 1.0 110.96 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.7 pm0 42.15 -163.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 1.0 110.296 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.86 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 168.27 -54.75 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.86 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -74.94 -56.15 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.573 1.828 . . . . 1.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.96 -61.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 1.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.63 63.04 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 1.0 109.32 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 40.47 62.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 109.339 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 50.85 98.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 1.092 . . . . 1.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.863 HD13 ' N ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -118.28 134.3 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 1.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.863 ' N ' HD13 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -135.77 138.36 42.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 1.0 110.02 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.25 122.47 0.57 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 1.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.537 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -117.88 94.97 4.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 1.0 109.639 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.105 ' CD1' HG13 ' A' ' 154' ' ' VAL . 11.8 mm -83.5 122.5 37.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.537 HG22 ' CE1' ' A' ' 81' ' ' HIS . 85.7 t -89.21 116.49 30.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 1.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -104.41 124.62 49.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 1.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.704 ' HA ' HD11 ' A' ' 152' ' ' LEU . 6.4 t -40.87 100.85 0.23 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 1.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.39 8.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.761 . . . . 1.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.98 111.32 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 1.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.649 HG22 ' H ' ' A' ' 148' ' ' PHE . 19.2 t -48.63 142.36 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.8 -135.77 4.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.424 1.077 . . . . 1.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 m -126.27 121.2 31.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 1.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.611 ' HB3' HG21 ' A' ' 140' ' ' VAL . 4.4 t80 -87.35 130.11 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 1.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 45.3 m-85 -124.6 146.96 48.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 1.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -96.6 -17.41 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.971 HG22 ' HA ' ' A' ' 101' ' ' ALA . 70.2 p -131.6 155.44 81.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -23.71 13.71 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.382 1.727 . . . . 1.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.31 170.81 7.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 109.945 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.01 10.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.814 . . . . 1.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -116.33 45.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 1.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.69 147.43 52.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.087 . . . . 1.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -52.97 174.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 1.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.971 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.65 133.09 37.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.938 ' CE1' HG21 ' A' ' 114' ' ' THR . 8.3 m-85 -50.62 -41.85 55.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 1.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.674 HD11 HD12 ' A' ' 115' ' ' LEU . 13.5 mt -130.16 132.82 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 119.51 39.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.6 t -40.42 116.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 1.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.595 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 108.04 30.54 3.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.599 1.187 . . . . 1.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -136.63 158.5 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 1.0 110.289 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -100.95 166.41 10.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 1.0 109.318 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 103' ' ' ILE . 17.4 m -143.55 145.16 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 1.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -130.01 146.49 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 1.0 109.226 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.56 109.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.81 -10.89 6.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.449 1.093 . . . . 1.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.84 138.21 35.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 1.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.938 HG21 ' CE1' ' A' ' 102' ' ' PHE . 74.3 m -65.55 141.41 58.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 1.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.683 HD13 ' HB2' ' A' ' 129' ' ' ALA . 0.7 OUTLIER -112.66 -33.04 6.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.579 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 23.2 p 178.97 -170.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 108.299 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.483 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -133.71 156.79 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 1.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.662 HG21 HD11 ' A' ' 127' ' ' ILE . 74.1 t -136.29 117.29 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.282 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -93.64 126.65 38.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 1.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -150.68 144.07 24.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.0 109.37 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 2.3 mtt 48.71 46.78 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.061 . . . . 1.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 121' ' ' MET . 10.7 ptmt 49.77 40.79 21.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 35.8 tpp -146.1 128.15 15.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.465 ' HG2' ' CG2' ' A' ' 117' ' ' ILE . 34.4 ttm -74.9 138.4 42.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -137.29 96.34 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.65 158.34 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.662 HD11 HG21 ' A' ' 118' ' ' VAL . 5.5 mt -123.65 116.05 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 1.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -96.41 127.47 42.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.364 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.683 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.42 133.11 1.95 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.169 . . . . 1.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.12 15.75 16.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 1.0 109.234 -179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -175.0 95.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 1.0 109.32 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.3 p -39.39 150.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.522 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 169.84 -179.41 42.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 1.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.4 p -106.42 -174.31 2.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 1.0 110.373 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.595 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.3 p -83.23 139.8 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 109.225 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.683 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -120.46 -44.87 2.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 1.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.693 ' C ' HD13 ' A' ' 138' ' ' ILE . . . 164.04 139.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.943 HD12 HG13 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -103.84 132.07 51.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 1.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.912 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.1 OUTLIER -103.15 -40.65 6.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 1.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 91' ' ' PHE . 12.0 p -78.33 157.66 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.25 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.81 151.11 29.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.546 1.154 . . . . 1.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 87.7 p -64.43 83.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 133.57 -12.86 4.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.483 1.115 . . . . 1.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 147.27 88.05 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 1.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.427 ' C ' HG13 ' A' ' 146' ' ' VAL . 18.4 Cg_endo -74.98 163.69 34.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 1.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.4 m -152.47 163.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 1.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.606 ' HA ' HG22 ' A' ' 88' ' ' VAL . 11.6 pt-20 -146.72 173.81 12.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 1.0 110.346 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.649 ' H ' HG22 ' A' ' 88' ' ' VAL . 3.6 t80 -61.88 135.16 57.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.118 . . . . 1.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.94 -10.0 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 13.6 tp10 -83.64 136.49 42.2 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 110.307 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.758 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.0 Cg_endo -75.06 152.14 40.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 1.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 85' ' ' SER . 80.5 mt -119.04 -79.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.943 HG13 HD12 ' A' ' 138' ' ' ILE . 2.9 t -122.54 142.59 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 1.105 HG13 ' CD1' ' A' ' 82' ' ' ILE . 24.3 t -100.79 115.48 42.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 1.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.4 mp -108.5 163.9 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.157 . . . . 1.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.505 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.8 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 1.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.409 ' HG2' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.531 0.205 . . . . 1.0 111.05 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' N ' ' HG2' ' A' ' 70' ' ' MET . 0.1 OUTLIER -114.01 -31.27 6.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 1.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.8 155.82 86.76 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.83 4.05 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.509 1.794 . . . . 1.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 59.6 155.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 1.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.73 129.72 34.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 1.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.09 159.36 15.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 1.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 79' ' ' SER . 0.0 OUTLIER 69.57 149.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 1.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.729 ' O ' HD12 ' A' ' 78' ' ' ILE . 0.6 OUTLIER 39.16 30.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -107.18 97.01 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 1.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.11 120.91 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.421 1.075 . . . . 1.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.62 99.12 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 0.813 . . . . 1.0 109.583 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.859 HG13 HG13 ' A' ' 154' ' ' VAL . 2.0 mp -85.41 118.08 31.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.637 1.211 . . . . 1.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.925 HG21 HD13 ' A' ' 115' ' ' LEU . 40.0 t -67.72 122.21 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -116.23 118.72 33.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.445 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -50.56 106.53 0.65 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 1.0 110.064 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 0.58 8.7 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 1.0 111.015 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.01 120.16 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.755 HG22 ' HA ' ' A' ' 147' ' ' GLU . 18.1 t -45.93 151.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 160.53 -128.96 2.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.491 1.119 . . . . 1.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 143' ' ' GLY . 56.7 m -142.96 120.96 12.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.414 0.714 . . . . 1.0 110.453 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.619 ' HB3' HG21 ' A' ' 140' ' ' VAL . 2.6 t80 -86.01 138.34 32.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 29.3 m-85 -134.6 149.31 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 1.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.53 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 13.9 mmm-85 -95.67 -14.06 23.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 1.0 110.228 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.958 HG22 ' HA ' ' A' ' 101' ' ' ALA . 40.4 p -135.39 155.47 78.58 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 1.0 110.369 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -22.77 14.61 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.467 1.772 . . . . 1.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -145.31 174.85 3.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 1.0 110.017 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.0 -32.68 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 1.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.63 51.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 1.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.52 148.26 50.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 1.0 109.332 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 1.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.958 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -100.27 137.82 38.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.924 ' CE1' HG21 ' A' ' 114' ' ' THR . 22.1 m-85 -61.66 -38.89 89.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 1.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.621 HD11 HG11 ' A' ' 109' ' ' VAL . 17.6 mt -140.47 133.21 32.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.2 133.78 54.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.12 116.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 1.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.712 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 99.51 48.71 1.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -149.71 155.2 39.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 1.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 109' ' ' VAL . 7.8 tttm -107.16 167.95 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.621 HG11 HD11 ' A' ' 103' ' ' ILE . 18.0 m -147.23 144.7 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.94 142.59 47.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.669 HG23 ' H ' ' A' ' 132' ' ' SER . 3.2 t -40.28 108.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.48 -8.95 8.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 1.0 111.045 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 133.26 37.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 1.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.924 HG21 ' CE1' ' A' ' 102' ' ' PHE . 96.6 m -53.96 141.64 27.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 1.0 110.373 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.021 HD21 HG22 ' A' ' 127' ' ' ILE . 2.5 pp -112.89 -32.65 6.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 109.386 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.666 ' O ' HD13 ' A' ' 117' ' ' ILE . 16.9 p -178.76 -164.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 1.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.754 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.3 mm -135.97 161.32 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 1.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.543 HG21 HD11 ' A' ' 127' ' ' ILE . 4.6 t -143.54 119.31 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 1.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.71 140.36 36.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 1.0 110.235 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -164.51 143.86 7.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 1.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.2 mtm 54.73 24.22 5.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.175 . . . . 1.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.4 37.33 1.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 1.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.5 ttm -136.96 145.26 43.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.392 1.057 . . . . 1.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.2 133.62 34.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -134.88 98.77 4.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 1.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.627 ' HG3' HD12 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -71.06 151.34 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 1.021 HG22 HD21 ' A' ' 115' ' ' LEU . 3.0 mt -122.05 115.89 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 1.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -96.6 128.83 43.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 1.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.35 133.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 1.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.23 14.99 23.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.247 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -174.01 95.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.669 ' H ' HG23 ' A' ' 111' ' ' VAL . 39.9 p -39.23 146.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 1.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 173.36 -172.86 45.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.405 1.066 . . . . 1.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.679 HG22 ' H ' ' A' ' 135' ' ' VAL . 10.7 m -113.78 -177.01 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 0.717 . . . . 1.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.712 HG11 ' H ' ' A' ' 106' ' ' GLY . 12.5 p -72.52 142.22 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 1.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.687 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -124.44 -45.3 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.14 132.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 1.0 109.337 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.898 HG23 HG22 ' A' ' 153' ' ' VAL . 0.7 OUTLIER -102.29 132.06 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 1.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.27 -42.19 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 91' ' ' PHE . 11.5 p -72.61 137.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 1.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.3 OUTLIER -102.04 131.17 48.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 1.0 110.295 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 60.5 p -44.3 95.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 1.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.621 ' O ' HG23 ' A' ' 90' ' ' THR . . . 133.11 -30.74 3.01 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 1.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.46 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 8.6 tt0 -57.77 140.87 80.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.3 Cg_endo -75.06 140.53 25.41 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 1.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.752 ' O ' HG13 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -101.84 162.77 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.755 ' HA ' HG22 ' A' ' 88' ' ' VAL . 11.4 mm-40 -143.39 167.84 21.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 1.0 110.396 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 149' ' ' ASP . 9.0 t80 -61.17 138.02 58.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 1.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 56.67 17.66 3.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 1.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 7.5 tm-20 -90.37 137.02 27.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 1.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.401 ' O ' ' OE1' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -74.97 156.35 43.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 1.0 111.035 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.729 HD12 HG12 ' A' ' 83' ' ' VAL . 60.3 mt -130.35 -81.78 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 1.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.898 HG22 HG23 ' A' ' 138' ' ' ILE . 21.1 t -119.49 154.13 22.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 1.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.859 HG13 HG13 ' A' ' 82' ' ' ILE . 25.0 t -109.74 118.36 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.8 mp -110.28 163.26 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 7.6 pt-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 1.0 110.244 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.477 0.18 . . . . 1.0 111.004 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.09 106.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.01 160.07 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 1.0 109.352 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 172.59 16.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.541 1.811 . . . . 1.0 111.047 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.78 62.73 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 64.0 162.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.346 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.05 83.91 5.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 1.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.84 93.3 1.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.454 ' O ' ' CB ' ' A' ' 79' ' ' SER . 3.3 pt 40.58 -147.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 1.0 109.246 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 3.5 t 82.29 44.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 1.0 110.042 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 155' ' ' ILE . . . -41.92 163.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.534 1.146 . . . . 1.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.538 ' CE1' HG23 ' A' ' 83' ' ' VAL . 1.9 p80 -149.94 127.3 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 1.0 109.577 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.507 HG13 HG13 ' A' ' 154' ' ' VAL . 3.8 mp -94.61 116.4 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.744 HG12 HD12 ' A' ' 152' ' ' LEU . 6.7 t -75.9 119.31 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 1.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.78 127.15 51.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 1.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.892 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -46.59 106.17 0.55 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 1.0 109.993 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 0.71 8.62 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 1.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -162.87 134.03 4.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 1.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.81 HG22 ' H ' ' A' ' 148' ' ' PHE . 13.2 t -67.18 138.53 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.52 -124.37 1.3 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.45 1.094 . . . . 1.0 110.998 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 143' ' ' GLY . 88.0 m -127.88 164.29 22.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 1.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.75 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.3 t80 -137.54 122.96 19.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 1.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 61.4 m-85 -116.08 162.8 16.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 1.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -108.71 -13.8 14.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 110.35 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 1.007 HG22 ' HA ' ' A' ' 101' ' ' ALA . 38.3 p -136.69 155.48 76.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 1.0 110.391 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -18.16 18.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 1.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -153.74 176.15 2.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.965 179.941 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.02 -36.48 2.51 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 1.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.78 23.65 14.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.175 . . . . 1.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -101.52 158.59 15.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.601 1.188 . . . . 1.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -63.56 168.95 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 1.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.007 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.41 133.34 36.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.454 1.096 . . . . 1.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.818 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 28.2 m-85 -59.64 -37.74 79.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 1.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.837 HG21 HD13 ' A' ' 115' ' ' LEU . 1.7 pp -143.59 100.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.84 120.24 24.93 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.507 1.129 . . . . 1.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.476 HG22 HD11 ' A' ' 138' ' ' ILE . 67.5 t -40.17 116.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 1.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.734 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 114.05 5.63 21.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 1.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.58 164.7 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 1.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -113.26 169.85 8.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 1.0 109.345 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.999 HG21 HD21 ' A' ' 115' ' ' LEU . 22.2 m -143.03 144.31 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.482 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 1.2 p30 -118.63 148.62 42.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.473 HG23 ' H ' ' A' ' 132' ' ' SER . 3.2 t -40.18 108.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.371 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.97 10.86 11.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.544 1.153 . . . . 1.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.0 133.94 53.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 1.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.737 HG23 ' CG ' ' A' ' 126' ' ' GLN . 23.5 m -60.37 143.62 52.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 1.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.999 HD21 HG21 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -112.17 -31.09 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.723 ' O ' HD13 ' A' ' 117' ' ' ILE . 1.2 p 177.72 -172.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 1.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.818 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 24.2 mm -123.46 154.21 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.691 ' CG2' HD11 ' A' ' 127' ' ' ILE . 25.2 t -134.67 127.89 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.67 136.72 38.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -134.1 -175.94 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.08 . . . . 1.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -42.08 92.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 1.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER 39.97 51.11 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 1.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.68 116.7 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ttt -84.06 132.27 34.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 117' ' ' ILE . 1.1 m-80 -129.3 159.92 34.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.737 ' CG ' HG23 ' A' ' 114' ' ' THR . 31.3 tt0 -128.21 148.88 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.2 mt -105.78 116.29 49.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 1.8 pm0 -101.44 121.89 42.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 1.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.857 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -43.46 133.03 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 1.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.5 p30 -112.92 15.49 19.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.0 OUTLIER -175.32 96.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 1.0 109.295 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 82.8 p -39.25 132.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 1.0 109.957 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.74 -171.81 31.45 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.48 1.112 . . . . 1.0 111.059 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.401 ' C ' HD13 ' A' ' 155' ' ' ILE . 21.1 m -126.65 149.36 49.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.435 0.727 . . . . 1.0 110.45 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.734 HG11 ' H ' ' A' ' 106' ' ' GLY . 14.0 p -41.26 160.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.523 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -151.81 -46.41 0.11 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.555 1.159 . . . . 1.0 109.247 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 174.16 132.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.249 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.739 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.42 112.61 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 1.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.858 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -82.13 -41.28 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.642 HG13 ' CE1' ' A' ' 91' ' ' PHE . 12.7 p -81.43 149.91 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 1.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -105.31 158.13 16.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 1.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.66 95.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 124.31 -33.9 3.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.549 1.156 . . . . 1.0 111.106 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.28 151.61 13.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.571 0.807 . . . . 1.0 110.299 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.04 167.23 27.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.366 1.719 . . . . 1.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.75 HG11 ' HB2' ' A' ' 91' ' ' PHE . 26.8 m -144.0 157.62 15.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 1.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.469 ' CB ' ' HG3' ' A' ' 150' ' ' GLU . 2.1 mt-10 -133.46 155.2 49.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 1.0 110.377 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.81 ' H ' HG22 ' A' ' 88' ' ' VAL . 18.2 t80 -62.93 134.94 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.4 t70 83.51 -5.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 1.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.469 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 49.6 mm-40 -87.77 149.43 45.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 1.0 110.244 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.858 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.01 161.36 38.88 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 1.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.892 HD11 ' HA ' ' A' ' 85' ' ' SER . 71.4 mt -132.39 -81.7 0.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 1.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.739 HG22 HG23 ' A' ' 138' ' ' ILE . 6.7 t -123.84 144.29 34.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 1.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.802 HG23 HD21 ' A' ' 139' ' ' LEU . 89.8 t -105.91 125.91 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.49 ' O ' ' CA ' ' A' ' 80' ' ' GLY . 1.7 mm -109.3 162.27 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.471 ' CB ' ' HG3' ' A' ' 136' ' ' LYS . 2.6 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 110.255 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.482 0.182 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 44.05 73.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 1.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.63 91.97 27.25 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 1.0 109.361 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -39.04 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 1.0 110.942 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -134.4 117.58 16.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 1.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.45 165.33 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.01 84.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.257 -179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -159.53 109.01 1.86 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 1.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.718 ' H ' HD13 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -127.82 163.79 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 1.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.2 p -114.84 104.74 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 1.0 109.993 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 156' ' ' GLU . . . 140.06 91.28 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.158 . . . . 1.0 110.968 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.27 102.64 5.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 1.0 109.588 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.821 HG13 HG13 ' A' ' 154' ' ' VAL . 4.2 mp -91.53 130.18 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 1.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.6 t -81.16 119.97 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.075 . . . . 1.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -104.66 112.98 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.694 ' HB3' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -45.48 103.81 0.36 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 1.0 109.986 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.36 8.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 1.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.5 mtt -149.0 134.02 18.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 1.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.787 HG13 ' HA ' ' A' ' 147' ' ' GLU . 10.8 t -74.79 144.6 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.51 -118.95 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 1.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 118' ' ' VAL . 90.9 m -130.82 167.19 19.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 1.0 110.408 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.787 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.0 t80 -138.82 138.14 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.569 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 64.3 m-85 -130.62 161.36 31.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 1.0 111.051 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.523 ' HD3' HG21 ' A' ' 138' ' ' ILE . 25.4 mmm-85 -108.78 -13.84 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.966 HG22 ' HA ' ' A' ' 101' ' ' ALA . 49.7 p -133.63 155.46 80.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.83 7.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.564 1.823 . . . . 1.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -142.33 178.0 1.67 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 110.017 -179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -74.97 -45.83 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.429 1.752 . . . . 1.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -99.47 47.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 1.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.05 160.72 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 1.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.503 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -71.75 165.07 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 1.0 109.377 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.966 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -84.21 133.21 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 1.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.811 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.0 m-85 -53.93 -40.31 66.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -138.06 103.34 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 11.1 pt-20 -82.74 118.18 23.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 1.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.459 HG22 HD11 ' A' ' 138' ' ' ILE . 94.0 t -40.29 116.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 1.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.676 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 116.43 5.99 15.88 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 1.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.94 171.13 8.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 1.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -115.63 176.8 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 132' ' ' SER . 35.0 m -150.94 146.73 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 1.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 0.6 OUTLIER -123.34 146.62 47.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 109.384 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.598 HG22 ' C ' ' A' ' 130' ' ' ASP . 3.2 t -40.2 108.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 1.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.22 -3.53 10.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 1.0 111.044 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.38 135.11 44.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.783 . . . . 1.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.811 HG21 ' CE1' ' A' ' 102' ' ' PHE . 58.0 m -58.27 144.89 39.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 129' ' ' ALA . 3.3 mt -112.85 -34.17 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.564 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p 174.89 -173.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 108.328 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.458 HG13 ' CE2' ' A' ' 102' ' ' PHE . 4.6 mt -124.96 158.78 32.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 1.0 109.235 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 127' ' ' ILE . 36.4 t -143.35 125.2 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.3 tt0 -83.76 127.95 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.02 167.48 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 20.8 ptp 42.59 45.6 4.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 1.0 110.937 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.2 51.69 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 1.0 109.358 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.27 154.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 1.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -78.3 138.52 38.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 111.068 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -130.2 106.92 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.746 ' CG ' HG23 ' A' ' 114' ' ' THR . 13.7 tt0 -79.24 146.96 32.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.491 HD11 HG21 ' A' ' 118' ' ' VAL . 1.7 mt -109.07 116.62 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 1.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -95.7 114.62 26.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 110.315 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.644 ' HA ' HD12 ' A' ' 115' ' ' LEU . . . -40.39 132.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 1.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.598 ' C ' HG22 ' A' ' 111' ' ' VAL . 38.6 m-20 -117.76 14.24 14.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 1.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 132' ' ' SER . 0.5 OUTLIER -164.84 93.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.407 1.067 . . . . 1.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 63.5 p -39.08 138.66 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 1.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -170.05 -172.32 36.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.134 . . . . 1.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.476 ' HB ' ' CG ' ' A' ' 156' ' ' GLU . 1.2 m -128.51 149.21 50.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 1.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.676 HG11 ' H ' ' A' ' 106' ' ' GLY . 11.9 p -41.44 161.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.576 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -151.89 -45.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 1.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.48 132.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.708 ' H ' HD12 ' A' ' 138' ' ' ILE . 0.4 OUTLIER -101.6 114.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.926 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -83.76 -42.67 16.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 1.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.593 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.4 p -78.31 159.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 1.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.02 162.25 16.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 1.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.0 t -75.38 92.33 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 119.05 -5.81 13.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.42 1.075 . . . . 1.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.82 150.73 72.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 1.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.4 Cg_endo -75.05 159.19 41.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.596 1.84 . . . . 1.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.787 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.4 m -138.82 157.97 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 1.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.787 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.3 mt-10 -127.79 162.02 27.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 1.0 110.357 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.752 ' H ' HG22 ' A' ' 88' ' ' VAL . 25.5 t80 -64.56 131.6 47.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 1.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.6 t70 82.32 -4.25 1.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.595 1.184 . . . . 1.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -82.49 141.15 45.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 1.0 110.247 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.707 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.6 Cg_endo -74.88 153.59 42.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 1.0 111.071 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 85' ' ' SER . 82.9 mt -123.29 -81.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.4 1.062 . . . . 1.0 109.361 179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 138' ' ' ILE . 4.7 t -115.34 139.55 41.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.926 HG23 HD21 ' A' ' 139' ' ' LEU . 86.3 t -102.89 118.98 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 11.2 mm -104.3 162.5 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.476 ' CG ' ' HB ' ' A' ' 134' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 1.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.4 tpp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.468 0.175 . . . . 1.0 110.995 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.39 139.01 50.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 1.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.843 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -46.28 -54.31 18.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 1.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.843 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.91 58.4 4.81 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.487 1.783 . . . . 1.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . 55.21 -176.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 1.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . 69.75 178.96 0.25 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 1.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -162.3 110.91 1.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 1.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -178.51 179.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 1.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 78' ' ' ILE . 15.4 mm 65.04 155.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 1.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 80' ' ' GLY . 0.4 OUTLIER 66.64 37.77 4.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 1.0 109.952 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 79' ' ' SER . . . -38.85 159.1 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 1.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.567 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 17.4 m-70 -117.0 175.24 5.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 1.0 109.587 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.1 mp -138.61 115.9 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.477 1.111 . . . . 1.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.461 HG12 HD12 ' A' ' 152' ' ' LEU . 53.7 t -80.87 117.39 26.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 1.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -104.38 119.62 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 1.0 110.354 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.6 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -38.88 99.47 0.19 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 1.0 110.021 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.27 9.11 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 1.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.2 tpp -159.83 115.21 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 1.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.83 HG13 ' HA ' ' A' ' 147' ' ' GLU . 10.7 t -56.12 145.66 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.18 -118.51 0.91 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 1.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 98.0 m -130.05 166.53 19.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 1.0 110.339 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.751 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.2 t80 -137.65 133.64 34.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 63.4 m-85 -127.09 153.59 45.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.074 . . . . 1.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.685 HH21 ' HB3' ' A' ' 116' ' ' CYS . 0.9 OUTLIER -104.27 -13.97 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 1.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.972 HG22 ' HA ' ' A' ' 101' ' ' ALA . 69.5 p -135.38 155.57 78.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 110.351 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -10.54 21.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 1.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.63 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -159.66 174.63 3.81 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.409 1.068 . . . . 1.0 109.97 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.03 -34.5 3.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 1.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.0 19.91 18.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.626 1.204 . . . . 1.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -98.8 150.77 21.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.167 . . . . 1.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -52.37 170.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 1.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.972 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -101.5 138.1 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.851 ' CE1' HG21 ' A' ' 114' ' ' THR . 20.2 m-85 -61.88 -38.83 89.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -150.42 103.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 1.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -87.71 133.14 33.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 1.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.678 HG22 HD11 ' A' ' 138' ' ' ILE . 62.6 t -40.4 117.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 1.0 109.296 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.728 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.55 25.27 6.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 1.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -124.32 165.36 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 1.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.75 174.67 5.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 1.0 109.223 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.453 ' CG1' HG12 ' A' ' 103' ' ' ILE . 16.0 m -152.4 150.95 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 1.0 109.236 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.442 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.7 m120 -137.01 146.54 45.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 1.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -40.4 108.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 1.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.27 -15.21 6.86 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 1.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.17 138.19 34.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.771 . . . . 1.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.851 HG21 ' CE1' ' A' ' 102' ' ' PHE . 94.2 m -53.82 173.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 1.0 110.437 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 129' ' ' ALA . 5.3 tp -136.8 -46.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.685 ' HB3' HH21 ' A' ' 93' ' ' ARG . 14.0 p -175.38 -168.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 108.253 -179.935 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.422 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.9 mt -132.97 153.38 37.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 1.0 109.271 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 127' ' ' ILE . 43.7 t -133.74 131.74 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -99.61 128.63 45.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 1.0 110.242 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.539 ' HB1' ' SD ' ' A' ' 121' ' ' MET . . . -154.86 149.86 26.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 1.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.539 ' SD ' ' HB1' ' A' ' 120' ' ' ALA . 2.4 mpt? 52.48 25.49 3.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 1.0 111.051 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.58 42.31 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 1.0 109.247 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.9 147.18 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.82 131.39 35.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -132.36 101.2 5.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 1.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.94 157.75 27.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 118' ' ' VAL . 5.1 mt -128.96 115.88 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 1.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -86.42 153.29 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.509 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -63.46 141.03 58.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 1.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -121.03 21.59 11.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 81' ' ' HIS . 0.1 OUTLIER 173.8 106.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.442 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 84.0 p -50.64 149.12 3.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 1.0 109.95 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.442 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 169.92 -174.76 44.11 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 1.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 135' ' ' VAL . 12.9 m -116.75 165.62 13.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 1.0 110.406 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.728 HG11 ' H ' ' A' ' 106' ' ' GLY . 14.8 p -52.92 162.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.353 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.664 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -149.01 -49.73 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.242 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.56 133.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 1.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.878 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -106.56 114.28 45.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 1.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.789 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -83.19 -42.86 16.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.59 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.5 p -81.8 149.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.27 165.35 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.1 p -72.67 88.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.18 -12.52 6.75 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.465 1.103 . . . . 1.0 111.07 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.47 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -71.32 150.48 94.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 1.0 110.322 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -75.02 164.7 32.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.767 . . . . 1.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.751 HG11 ' HB2' ' A' ' 91' ' ' PHE . 20.7 m -142.41 157.85 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 1.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.83 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.9 mt-10 -135.5 160.07 39.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.737 ' H ' HG22 ' A' ' 88' ' ' VAL . 39.1 t80 -63.75 132.02 49.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 1.0 111.08 179.891 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 84.93 -10.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 -179.925 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 0.0 OUTLIER -80.72 144.77 56.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 1.0 110.363 179.952 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.694 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.0 Cg_endo -75.06 156.02 42.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.549 1.815 . . . . 1.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.6 HD11 ' HA ' ' A' ' 85' ' ' SER . 36.4 mt -120.87 -80.3 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 1.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.878 HG22 HG23 ' A' ' 138' ' ' ILE . 13.7 t -130.34 138.68 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.664 HG12 ' HB3' ' A' ' 136' ' ' LYS . 71.8 t -97.49 123.34 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.6 mp -106.56 164.15 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.387 179.939 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.502 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.9 tp10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.531 0.205 . . . . 1.0 110.977 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.39 -55.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 1.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.825 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -40.55 -54.56 4.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.825 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -75.06 56.61 4.34 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.778 . . . . 1.0 110.995 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.38 94.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.287 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.558 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -57.56 -61.15 2.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 1.0 109.264 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . 74.51 -61.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 59.41 157.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 1.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.439 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.6 pp -135.02 160.66 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 1.0 109.297 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.56 114.74 10.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 1.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.407 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -44.35 169.34 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.434 1.084 . . . . 1.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.735 ' CE1' HD12 ' A' ' 155' ' ' ILE . 1.2 p80 -119.25 171.05 8.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 0.78 . . . . 1.0 109.603 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.947 HG13 HG13 ' A' ' 154' ' ' VAL . 2.9 mt -137.4 117.79 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.669 HG23 ' HE1' ' A' ' 81' ' ' HIS . 37.7 t -78.37 121.17 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -109.05 120.39 42.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.554 ' OG ' HG21 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -45.83 103.99 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 1.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.69 8.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.531 1.806 . . . . 1.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.9 mtp -154.91 141.94 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.851 HG22 ' H ' ' A' ' 148' ' ' PHE . 9.4 t -78.91 139.0 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 1.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.18 -122.87 1.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 1.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.503 ' O ' HG13 ' A' ' 118' ' ' VAL . 93.7 m -127.07 168.29 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 1.0 110.447 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.777 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.8 t80 -140.32 129.63 23.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 1.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 77.1 m-85 -123.06 163.77 19.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 1.0 111.028 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.757 HH11 HG21 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -111.7 -13.78 13.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 1.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.903 HG22 ' HA ' ' A' ' 101' ' ' ALA . 26.4 p -136.94 155.37 76.37 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.595 1.184 . . . . 1.0 110.452 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.16 10.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 1.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -145.77 178.7 1.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.0 -39.75 1.11 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 1.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -106.8 43.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.14 156.14 35.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.124 . . . . 1.0 109.245 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -60.91 170.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.903 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -98.36 133.2 43.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.933 ' CD1' HG21 ' A' ' 114' ' ' THR . 31.4 m-85 -60.01 -37.41 79.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -135.86 94.72 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.496 ' HG2' ' HB3' ' A' ' 101' ' ' ALA . 2.2 mm-40 -83.33 112.58 20.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 1.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.495 HG22 HD11 ' A' ' 138' ' ' ILE . 79.4 t -40.53 116.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 1.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.587 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 107.99 17.15 11.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 1.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -120.33 166.93 12.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 1.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -111.05 161.58 15.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 1.0 109.344 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.66 146.23 23.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 1.0 109.335 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.465 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 3.4 p30 -127.56 146.14 50.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.39 -7.89 9.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.12 . . . . 1.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.93 138.49 35.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 1.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.933 HG21 ' CD1' ' A' ' 102' ' ' PHE . 90.7 m -52.29 174.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.511 ' H ' HG22 ' A' ' 114' ' ' THR . 4.5 tp -138.67 -45.98 0.49 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.558 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -176.55 -164.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 1.0 108.348 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.607 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.0 mt -135.05 155.03 37.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 1.0 109.363 179.882 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 90' ' ' THR . 47.9 t -141.42 126.63 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.417 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 5.2 tt0 -85.13 126.92 34.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 1.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.95 157.49 29.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 1.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 1.8 mtp 46.76 41.14 9.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 1.0 111.014 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 121' ' ' MET . 10.8 ptmt 48.64 47.17 20.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 1.0 109.335 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.45 ' O ' ' ND2' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -166.12 144.78 5.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.979 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ptm -71.42 133.95 46.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 1.0 110.946 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 123' ' ' MET . 11.8 m-80 -128.4 102.59 6.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -64.06 159.09 20.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.8 mm -125.98 115.85 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 109.328 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -93.95 149.87 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 1.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -67.12 165.06 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 1.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.14 18.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 109.245 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 132' ' ' SER . 10.8 tttt 179.98 95.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 62.6 p -39.35 146.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 1.0 110.025 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.03 -173.45 46.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 1.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 155' ' ' ILE . 1.1 m -122.12 154.45 37.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 1.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.587 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.9 p -45.1 159.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.368 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 18.5 tttt -144.21 -48.77 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 1.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 174.37 132.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 1.0 109.364 -179.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.45 125.51 57.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 1.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.889 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -93.16 -42.84 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 1.0 109.362 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.55 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.3 p -76.88 165.69 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 1.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.463 ' N ' HG22 ' A' ' 140' ' ' VAL . 1.0 OUTLIER -118.88 166.13 13.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 1.0 110.305 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.64 94.01 5.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.007 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 117.35 -6.53 16.74 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.433 1.083 . . . . 1.0 111.001 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -79.86 151.28 73.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 1.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.1 Cg_endo -75.01 159.73 40.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 91' ' ' PHE . 4.4 m -139.43 157.14 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.638 ' HA ' HG13 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -129.71 155.33 46.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 110.369 179.935 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.851 ' H ' HG22 ' A' ' 88' ' ' VAL . 10.7 t80 -62.46 135.72 57.56 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.527 1.142 . . . . 1.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.5 t0 84.48 -7.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 10.9 mm-40 -85.51 148.72 50.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 1.0 110.268 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.768 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.0 162.99 36.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 1.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.492 HD12 HG12 ' A' ' 83' ' ' VAL . 29.7 mt -127.93 -80.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 138' ' ' ILE . 5.8 t -131.33 140.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 1.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.947 HG13 HG13 ' A' ' 82' ' ' ILE . 3.5 t -100.22 130.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.735 HD12 ' CE1' ' A' ' 81' ' ' HIS . 19.7 mt -117.15 164.25 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.508 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.3 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 1.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.8 ttt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.43 0.157 . . . . 1.0 110.975 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.83 -59.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.545 1.153 . . . . 1.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 43.74 84.39 0.19 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 118.24 5.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.466 1.771 . . . . 1.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.51 69.12 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.26 135.06 38.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.86 99.45 3.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 1.0 109.241 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 78' ' ' ILE . 0.8 OUTLIER -174.04 73.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 1.0 110.255 179.958 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER 45.83 -169.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.49 -62.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 109.969 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.85 118.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.139 . . . . 1.0 111.021 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.71 104.04 7.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 1.0 109.561 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.835 ' CG1' HG13 ' A' ' 154' ' ' VAL . 5.9 mt -94.54 122.55 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.748 HG12 HD12 ' A' ' 152' ' ' LEU . 55.1 t -74.91 117.17 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 1.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -107.28 113.82 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.295 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.502 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -40.83 101.3 0.24 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 1.0 110.036 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 0.42 8.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.585 1.834 . . . . 1.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.2 tpp -154.69 133.97 12.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.924 HG13 ' HA ' ' A' ' 147' ' ' GLU . 2.8 t -69.91 140.59 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 1.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.98 -121.09 1.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 1.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 85.0 m -131.93 165.17 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 1.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.8 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.9 t80 -135.23 131.05 36.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 1.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 57.9 m-85 -124.35 148.97 47.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 1.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.6 ' CZ ' HD12 ' A' ' 138' ' ' ILE . 23.8 mmm-85 -97.59 -13.75 21.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 1.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.944 HG22 ' HA ' ' A' ' 101' ' ' ALA . 21.4 p -136.92 155.59 76.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.12 21.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 1.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.456 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -159.68 175.48 3.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.968 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -75.09 -32.43 5.29 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 1.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -118.53 35.39 4.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.53 160.21 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 109.291 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 173.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 109.36 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.944 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -101.56 133.01 46.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.687 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 32.6 m-85 -60.17 -37.35 79.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.514 HG21 ' HA ' ' A' ' 115' ' ' LEU . 1.4 pp -142.36 98.92 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 1.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.89 114.89 20.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.1 t -42.02 116.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 1.0 109.372 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.631 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.95 11.48 16.29 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -115.64 171.17 7.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 1.0 110.314 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 159.16 18.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 109.216 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 132' ' ' SER . 27.4 m -136.77 134.08 48.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.469 1.105 . . . . 1.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -122.97 150.28 43.19 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.457 1.098 . . . . 1.0 109.217 -179.927 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.58 109.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.12 -14.6 7.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 1.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.14 137.63 32.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 1.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.631 HG21 ' CD1' ' A' ' 102' ' ' PHE . 59.5 m -63.3 162.92 11.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 1.0 110.413 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.719 HD23 HG21 ' A' ' 83' ' ' VAL . 1.4 tp -123.46 -43.23 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.267 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.551 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 27.0 p -176.05 -168.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 1.0 108.259 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 125' ' ' ASN . 16.1 mm -131.1 148.73 32.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.514 1.134 . . . . 1.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.616 ' CG2' HD11 ' A' ' 127' ' ' ILE . 38.9 t -129.26 127.15 65.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 1.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.15 135.65 41.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 1.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -133.32 -175.96 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 109.356 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 1.9 mmm -39.92 93.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 1.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 120' ' ' ALA . 10.3 ptmm? 40.16 54.96 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.99 117.39 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.606 1.191 . . . . 1.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -91.48 134.81 34.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 1.0 111.023 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.74 ' O ' HG23 ' A' ' 117' ' ' ILE . 7.1 m-80 -133.98 162.84 30.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.619 ' CG ' HG23 ' A' ' 114' ' ' THR . 31.5 tt0 -128.68 154.36 46.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 1.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.616 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -111.94 117.16 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -97.56 128.91 44.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 1.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.48 133.02 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 1.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -119.1 14.83 13.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.35 179.931 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.89 90.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 1.0 109.314 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 85.4 p -39.24 135.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.132 . . . . 1.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.87 -173.16 41.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 1.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 96.4 m -115.18 154.51 28.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 1.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.631 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.4 p -49.73 145.59 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.684 ' HE3' HG12 ' A' ' 154' ' ' VAL . 1.8 ttpp -124.68 -45.54 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 1.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.98 133.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.316 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.968 HG23 HG22 ' A' ' 153' ' ' VAL . 1.6 mt -100.23 130.52 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.748 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -99.95 -46.52 5.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 1.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.57 HG11 ' CD2' ' A' ' 91' ' ' PHE . 14.9 p -69.71 167.89 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 1.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.488 ' N ' HG22 ' A' ' 140' ' ' VAL . 0.3 OUTLIER -120.48 160.01 24.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 1.0 110.337 179.958 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.3 p -73.85 89.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 110.011 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 122.49 -10.1 9.25 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 1.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.49 149.19 86.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 1.0 110.285 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.46 43.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 1.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.8 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.9 m -138.82 163.64 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.924 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.4 pt-20 -138.43 163.37 32.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 1.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.859 ' H ' HG22 ' A' ' 88' ' ' VAL . 24.7 t80 -62.75 134.79 56.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.4 1.063 . . . . 1.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 11.7 t0 81.73 -3.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.399 1.062 . . . . 1.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.447 ' HB2' ' CG ' ' A' ' 147' ' ' GLU . 2.5 tm-20 -86.46 139.82 33.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.748 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.02 158.32 42.19 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.473 1.775 . . . . 1.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.748 HD12 HG12 ' A' ' 83' ' ' VAL . 35.2 mt -127.83 -79.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.968 HG22 HG23 ' A' ' 138' ' ' ILE . 5.8 t -124.99 140.62 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 1.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.835 HG13 ' CG1' ' A' ' 82' ' ' ILE . 35.2 t -101.08 130.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.6 mp -121.27 163.73 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 1.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.486 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 6.9 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.0 110.353 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.534 0.207 . . . . 1.0 110.997 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 3.9 pt-20 -70.99 -5.73 33.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 1.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 168.28 -54.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 1.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.85 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.97 112.9 3.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.54 1.811 . . . . 1.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -160.72 120.09 2.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 1.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -155.07 100.82 2.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.373 1.046 . . . . 1.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . 70.73 -62.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' OE1' ' NZ ' ' A' ' 131' ' ' LYS . 31.8 tt0 42.54 69.88 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 1.0 110.372 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.779 ' H ' HD13 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -118.17 -39.81 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.414 ' N ' HG12 ' A' ' 78' ' ' ILE . 16.5 p 174.18 84.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 1.0 110.005 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 179.96 86.68 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.544 1.152 . . . . 1.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.601 ' CD2' HG22 ' A' ' 155' ' ' ILE . 0.2 OUTLIER -110.97 106.73 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 1.0 109.594 179.965 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.6 mp -91.22 116.2 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 1.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.938 HG12 HD12 ' A' ' 152' ' ' LEU . 62.4 t -81.97 121.6 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.421 1.076 . . . . 1.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -113.8 128.83 56.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 1.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.812 ' HA ' HD11 ' A' ' 152' ' ' LEU . 13.4 t -47.98 105.26 0.47 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 1.0 109.968 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.53 8.79 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.457 1.767 . . . . 1.0 111.022 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.66 125.78 1.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.608 1.193 . . . . 1.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.746 HG22 ' H ' ' A' ' 148' ' ' PHE . 20.9 t -53.7 138.22 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.78 -143.16 7.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.151 . . . . 1.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 143' ' ' GLY . 86.6 m -123.9 120.12 31.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 1.0 110.395 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.692 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.2 t80 -86.28 128.52 34.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 40.0 m-85 -121.05 146.01 47.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 1.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.513 ' HD3' HG21 ' A' ' 138' ' ' ILE . 5.9 mmm180 -95.04 -15.06 23.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.964 HG22 ' HA ' ' A' ' 101' ' ' ALA . 68.8 p -130.58 155.51 81.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 110.422 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.406 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -74.93 -29.74 8.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.382 1.728 . . . . 1.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.491 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -140.59 177.72 1.86 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 1.0 109.973 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.04 -44.7 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 1.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -99.35 50.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.78 143.91 43.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.401 1.063 . . . . 1.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 168.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.964 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -77.63 132.97 38.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.954 ' CE1' HG21 ' A' ' 114' ' ' THR . 5.5 m-85 -47.51 -43.14 24.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.11 126.44 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 1.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -96.36 115.68 27.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 1.0 110.323 179.936 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.654 HG22 HD11 ' A' ' 138' ' ' ILE . 79.8 t -39.95 116.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 1.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.597 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 114.54 11.54 11.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.45 165.57 13.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 0.745 . . . . 1.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.57 161.39 14.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 1.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 133' ' ' GLY . 26.3 m -139.99 141.5 33.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 1.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.408 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 23.5 t-20 -126.52 148.36 49.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 t -40.44 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 1.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.65 -15.64 5.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 1.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.84 135.71 33.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 0.798 . . . . 1.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.954 HG21 ' CE1' ' A' ' 102' ' ' PHE . 49.4 m -61.03 149.25 37.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 1.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 115' ' ' LEU . 4.0 tp -116.7 -38.46 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 15.6 p -179.47 -171.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 95' ' ' PRO . 6.0 mt -133.06 158.3 43.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 1.0 109.396 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.543 HG21 HD11 ' A' ' 127' ' ' ILE . 94.2 t -138.29 120.24 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -94.31 125.3 38.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 1.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -142.78 142.53 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.4 mmm 53.85 29.18 9.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 1.0 110.987 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? 69.09 37.05 2.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.69 131.31 24.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.2 mtt -78.12 133.22 37.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -134.61 103.35 5.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.288 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.58 158.3 27.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 1.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.543 HD11 HG21 ' A' ' 118' ' ' VAL . 3.3 mt -132.63 115.85 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 1.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -88.11 149.84 23.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 1.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.58 133.13 21.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.01 17.8 19.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' NZ ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER 177.81 90.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 1.0 109.376 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.408 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 87.3 p -39.41 143.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.0 109.967 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.485 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 172.6 -172.94 45.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.102 . . . . 1.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 155' ' ' ILE . 3.2 m -107.66 165.45 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 1.0 110.438 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.597 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.9 p -62.07 147.63 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.514 1.133 . . . . 1.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.63 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -126.67 -47.22 1.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 1.0 109.238 -179.974 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.81 135.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.759 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -101.9 118.2 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 109.336 179.96 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.918 HD21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -88.43 -42.32 12.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 1.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.586 HG13 ' CE1' ' A' ' 91' ' ' PHE . 13.2 p -83.54 148.49 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 1.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.47 161.64 13.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 1.0 110.345 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.1 p -65.15 99.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 1.0 110.052 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 119.61 -26.46 7.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 1.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.458 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 28.8 tt0 -56.6 140.39 74.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 1.0 110.36 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.5 Cg_endo -75.0 159.83 40.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 1.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.692 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.7 m -141.33 157.05 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.512 ' HG2' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -127.72 165.58 19.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 110.256 -179.934 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.746 ' H ' HG22 ' A' ' 88' ' ' VAL . 19.8 t80 -64.69 128.97 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 1.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 7.1 t70 84.68 3.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 1.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.478 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 23.4 mm-40 -89.81 150.47 43.95 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 1.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.614 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.04 165.28 31.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 1.0 111.033 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.938 HD12 HG12 ' A' ' 83' ' ' VAL . 80.9 mt -135.05 -81.59 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.759 HG22 HG23 ' A' ' 138' ' ' ILE . 9.3 t -133.11 149.43 31.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 1.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.918 HG23 HD21 ' A' ' 139' ' ' LEU . 27.6 t -103.28 127.11 57.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 1.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.601 HG22 ' CD2' ' A' ' 81' ' ' HIS . 1.9 mp -116.16 164.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 1.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 1.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.513 0.197 . . . . 1.0 110.992 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.517 ' OE1' ' HB2' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -164.22 171.44 14.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 1.0 110.203 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.517 ' HB2' ' OE1' ' A' ' 71' ' ' GLU . . . 63.09 68.76 0.91 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 1.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 174.77 12.19 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.54 1.811 . . . . 1.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.28 -60.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 1.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 76' ' ' ALA . . . -174.49 91.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.35 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -40.46 -61.42 0.92 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 1.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -179.1 59.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 1.0 110.315 -179.959 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 78' ' ' ILE . 1.1 tp 55.98 166.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.8 p -172.41 -47.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 1.0 110.044 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.15 125.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 1.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 130' ' ' ASP . 1.9 t60 -149.64 124.21 9.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 1.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.931 HG13 HG13 ' A' ' 154' ' ' VAL . 2.7 mp -100.45 118.28 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.77 HG21 HD23 ' A' ' 115' ' ' LEU . 86.4 t -63.97 116.53 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -108.97 103.1 12.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.654 ' HB2' HD11 ' A' ' 152' ' ' LEU . 0.9 OUTLIER -39.56 104.6 0.33 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 1.0 109.935 -179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.53 8.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.369 1.721 . . . . 1.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.5 mtt -148.74 128.73 13.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 1.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.753 HG13 ' HA ' ' A' ' 147' ' ' GLU . 21.0 t -69.92 141.3 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 1.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 160.95 -123.27 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 1.0 110.995 179.934 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.473 ' CA ' HG22 ' A' ' 146' ' ' VAL . 98.8 m -125.28 168.94 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 1.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.837 ' HD2' HD13 ' A' ' 152' ' ' LEU . 4.4 t80 -139.3 139.08 37.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 1.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.7 m-85 -133.37 150.74 51.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 1.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.819 ' CZ ' HD13 ' A' ' 138' ' ' ILE . 13.5 mmm180 -97.61 -16.41 20.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 1.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.961 HG22 ' HA ' ' A' ' 101' ' ' ALA . 82.4 p -131.99 155.54 81.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 1.0 110.466 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.03 15.22 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.441 1.759 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.79 169.17 9.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 1.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.67 13.55 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.458 1.767 . . . . 1.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.64 35.94 4.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.99 148.65 46.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 1.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -56.54 170.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.088 . . . . 1.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.961 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -88.76 134.48 33.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 1.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.843 ' CE1' HG21 ' A' ' 114' ' ' THR . 10.0 m-85 -53.87 -40.99 67.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 1.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.464 HG23 ' NH2' ' A' ' 93' ' ' ARG . 0.4 OUTLIER -137.16 129.33 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 1.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 2.7 tt0 -106.68 119.64 39.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 1.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' GLU . 59.6 t -40.39 116.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.662 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 111.03 26.19 4.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 1.0 111.063 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.01 161.82 34.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 1.0 110.236 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -104.23 174.63 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 1.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 133' ' ' GLY . 16.8 m -151.09 138.88 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 1.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' VAL . 2.0 t-20 -127.67 148.94 50.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 1.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -40.45 108.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 1.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.21 -6.46 6.35 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.581 1.176 . . . . 1.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.44 137.77 46.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 0.734 . . . . 1.0 109.256 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.843 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.3 m -59.17 174.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 1.0 110.425 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.77 HD23 HG21 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -136.61 -46.57 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 1.0 109.359 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.8 p -174.53 -163.72 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 1.0 108.29 179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.461 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.3 mt -138.5 152.63 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 127' ' ' ILE . 16.3 t -135.49 133.15 52.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 1.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.419 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.0 tt0 -95.37 129.87 42.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -170.02 169.1 8.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.5 ptp 42.53 45.71 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm 41.53 51.84 3.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.25 157.61 3.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 1.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttp -80.57 143.02 33.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -137.42 98.45 3.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -68.67 153.55 43.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 1.0 110.31 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.521 HD11 HG21 ' A' ' 118' ' ' VAL . 4.0 mt -120.69 115.77 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -93.13 146.38 23.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 110.348 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.75 133.13 21.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 1.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.444 ' OD2' ' NE2' ' A' ' 81' ' ' HIS . 2.2 p30 -124.35 15.74 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -173.11 84.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 109.274 179.96 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.0 p -39.25 132.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 110.005 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 109' ' ' VAL . . . -179.72 -173.1 44.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 1.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 135' ' ' VAL . 14.3 m -108.99 170.88 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 1.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.662 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.9 p -64.79 145.56 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.454 1.097 . . . . 1.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.642 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -124.73 -46.86 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 1.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.642 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.9 133.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.89 HG23 HG22 ' A' ' 153' ' ' VAL . 1.2 mt -102.06 133.09 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 1.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -104.63 -44.75 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 1.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.642 HG13 ' CE1' ' A' ' 91' ' ' PHE . 12.2 p -82.62 141.42 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.8 -179.24 3.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 1.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.6 99.08 5.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 1.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.51 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 121.97 -29.42 5.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 1.0 111.001 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -52.47 150.16 9.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 1.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.01 175.12 11.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 1.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.643 HG12 ' CD2' ' A' ' 152' ' ' LEU . 0.8 OUTLIER -148.57 156.54 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 1.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.753 ' HA ' HG13 ' A' ' 88' ' ' VAL . 10.6 tt0 -134.99 170.43 15.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 1.0 110.327 179.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.748 ' N ' HG22 ' A' ' 88' ' ' VAL . 32.6 t80 -59.67 137.29 58.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 1.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 55.28 19.27 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 1.0 109.305 179.937 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 36.7 tp10 -80.72 135.15 52.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 1.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.47 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . 18.4 Cg_endo -75.02 122.89 7.48 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 1.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.837 HD13 ' HD2' ' A' ' 91' ' ' PHE . 23.4 mt -99.64 -77.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.89 HG22 HG23 ' A' ' 138' ' ' ILE . 3.6 t -124.88 139.89 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.931 HG13 HG13 ' A' ' 82' ' ' ILE . 21.0 t -96.38 125.17 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 1.0 109.236 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.468 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.7 mp -113.03 160.76 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 1.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 1.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 14.0 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.537 0.208 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -178.16 119.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 1.0 110.331 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.72 79.84 1.34 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 1.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -40.65 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 1.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.53 100.25 7.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 1.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.62 -61.08 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.172 . . . . 1.0 109.293 179.927 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 55.8 172.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 1.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.18 128.2 34.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 1.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.52 HD13 ' N ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -41.54 157.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 1.0 109.266 -179.97 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.4 t -59.65 -63.79 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.95 -179.893 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -40.18 161.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 1.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.406 ' CD2' ' HB2' ' A' ' 131' ' ' LYS . 3.3 t60 -131.52 126.68 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 1.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.924 HG13 HG13 ' A' ' 154' ' ' VAL . 5.0 mp -92.06 129.67 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 1.0 109.26 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 55.3 t -83.7 120.96 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -99.67 125.29 45.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.72 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -47.23 104.82 0.43 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 109.999 -179.927 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.35 8.98 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.553 1.818 . . . . 1.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.1 tpt -159.96 143.8 14.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.856 HG22 ' H ' ' A' ' 148' ' ' PHE . 7.2 t -79.67 139.12 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.62 -122.12 1.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 1.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 91' ' ' PHE . 97.5 m -127.76 169.55 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.771 . . . . 1.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.784 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.6 t80 -139.93 140.44 36.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 1.0 110.985 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 72.0 m-85 -133.82 150.3 51.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 111.077 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.511 ' HD3' HG21 ' A' ' 138' ' ' ILE . 6.1 mmm180 -94.95 -18.76 20.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.957 HG22 ' HA ' ' A' ' 101' ' ' ALA . 44.7 p -129.27 155.4 80.04 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 1.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.471 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -75.02 -28.94 8.71 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.799 . . . . 1.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -141.86 175.05 3.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 1.0 110.065 179.939 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.96 -44.55 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 1.0 111.049 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.47 24.07 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.51 138.49 49.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 1.0 109.236 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -56.97 178.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 1.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.957 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -85.39 133.13 34.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.843 ' CE1' HG21 ' A' ' 114' ' ' THR . 5.3 m-85 -49.6 -42.63 45.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 1.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.873 HD12 HD13 ' A' ' 115' ' ' LEU . 17.4 mt -129.46 121.57 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -90.26 112.84 24.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 110.289 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.484 ' HA ' HG21 ' A' ' 135' ' ' VAL . 55.8 t -40.33 116.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.556 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 103.01 27.35 6.64 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 1.0 111.063 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 134' ' ' THR . 0.0 OUTLIER -123.98 161.66 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 1.0 110.23 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -98.35 141.46 31.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 1.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 103' ' ' ILE . 17.5 m -138.82 130.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 22.0 m-80 -122.01 155.07 36.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 1.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -40.46 112.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 1.0 109.264 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.14 -23.62 4.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 1.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.11 135.09 37.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.736 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.843 HG21 ' CE1' ' A' ' 102' ' ' PHE . 94.0 m -51.23 174.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.873 HD13 HD12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -136.91 -46.57 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 1.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.559 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -172.96 -164.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.475 HG13 ' CE2' ' A' ' 102' ' ' PHE . 5.3 mt -137.1 152.78 28.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 90' ' ' THR . 54.9 t -135.32 128.81 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 1.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -91.95 128.96 37.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 1.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -163.3 151.71 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.0 mtp 53.29 21.22 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.95 40.84 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 1.0 109.368 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.6 mmm -149.14 152.5 36.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.93 103.07 15.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -95.25 112.75 24.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 1.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -73.89 143.76 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.6 mm -111.33 115.82 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -90.02 136.47 33.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 1.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.771 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -40.43 133.1 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 1.0 109.23 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -120.06 15.47 12.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 81' ' ' HIS . 3.5 mttp -179.68 91.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 1.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.471 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 56.9 p -39.22 149.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.41 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . 179.04 -173.29 45.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 1.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.749 ' O ' HG12 ' A' ' 135' ' ' VAL . 42.6 m -128.0 65.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 1.0 110.378 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 134' ' ' THR . 6.3 p 50.63 178.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 1.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.68 ' H ' HG22 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -166.6 -48.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 167.93 133.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 1.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.869 HG23 HG22 ' A' ' 153' ' ' VAL . 2.3 mm -97.22 123.44 49.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 1.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.794 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -93.24 -44.13 8.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 1.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.639 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.3 p -86.79 144.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 1.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.92 168.04 11.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 1.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 59.5 p -76.68 90.09 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 1.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.1 -5.43 7.31 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 1.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -79.3 150.13 73.51 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 1.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -74.96 161.21 39.25 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.485 1.781 . . . . 1.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 91' ' ' PHE . 12.4 m -140.54 157.39 24.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 1.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.66 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.6 mt-10 -133.04 154.71 50.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.611 1.194 . . . . 1.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.856 ' H ' HG22 ' A' ' 88' ' ' VAL . 16.4 t80 -62.57 135.08 57.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.0 t70 83.16 -5.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.461 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 5.3 mm-40 -89.04 150.11 44.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 1.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.696 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.01 155.29 42.88 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.792 . . . . 1.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.72 HD11 ' HA ' ' A' ' 85' ' ' SER . 78.5 mt -124.57 -81.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.869 HG22 HG23 ' A' ' 138' ' ' ILE . 83.4 t -123.44 152.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.457 1.098 . . . . 1.0 109.233 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.924 HG13 HG13 ' A' ' 82' ' ' ILE . 23.5 t -113.43 120.37 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 1.0 109.361 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.697 HD11 HD11 ' A' ' 115' ' ' LEU . 2.2 mp -112.36 163.24 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.0 109.286 -179.92 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.9 tt0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 1.0 110.327 179.916 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.538 0.209 . . . . 1.0 110.989 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.61 -59.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.839 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -46.93 -54.47 19.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 1.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.839 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.95 117.9 5.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 1.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.4 -61.14 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 1.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.49 -61.11 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 1.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -40.63 -61.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.28 139.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 1.0 110.192 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 132' ' ' SER . 0.1 OUTLIER -166.4 -44.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 1.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 t -77.16 98.23 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 1.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.6 98.87 1.68 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 1.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -151.51 121.18 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 1.0 109.613 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.914 HG13 HG13 ' A' ' 154' ' ' VAL . 4.4 mp -95.04 119.36 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.891 HG21 HD23 ' A' ' 115' ' ' LEU . 55.0 t -72.9 117.29 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 1.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 7.9 mtm-85 -113.05 124.71 53.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 1.143 . . . . 1.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.476 ' CA ' HD11 ' A' ' 152' ' ' LEU . 1.0 OUTLIER -49.27 105.96 0.57 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 1.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.69 8.61 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.419 1.747 . . . . 1.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -155.85 123.79 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 1.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 147' ' ' GLU . 39.6 t -55.62 142.09 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.509 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 162.11 -114.45 0.61 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 1.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.482 ' C ' HG13 ' A' ' 146' ' ' VAL . 89.9 m -141.13 168.61 19.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 1.0 110.378 -179.944 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.601 ' HB3' HG21 ' A' ' 140' ' ' VAL . 2.3 t80 -138.1 144.1 40.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 1.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 61.8 m-85 -139.0 154.82 48.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.6 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 13.7 mmm-85 -101.55 -14.08 17.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 1.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.967 HG22 ' HA ' ' A' ' 101' ' ' ALA . 42.7 p -134.97 155.46 79.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 1.0 110.406 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -25.33 11.86 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.779 . . . . 1.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.35 178.63 1.38 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.073 . . . . 1.0 110.059 179.925 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.91 -46.44 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.798 . . . . 1.0 111.054 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -99.46 48.42 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.01 152.32 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 1.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -61.56 168.33 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 1.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.967 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -91.0 138.2 31.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 1.0 109.373 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.917 ' CE1' HG21 ' A' ' 114' ' ' THR . 19.4 m-85 -60.62 -39.55 88.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 1.0 111.04 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 pp -147.1 101.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 1.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -91.17 135.86 33.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 1.0 110.263 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.427 ' HA ' HG21 ' A' ' 135' ' ' VAL . 56.5 t -39.9 116.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.92 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.588 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.61 28.54 5.36 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 1.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.73 160.47 34.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 0.716 . . . . 1.0 110.258 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.446 ' C ' HG13 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -113.18 171.81 7.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.918 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.924 HG21 HD11 ' A' ' 115' ' ' LEU . 33.9 m -154.46 147.12 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.5 t-20 -121.81 147.71 45.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 1.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.35 109.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 1.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.66 -23.42 6.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 1.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.12 136.09 35.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 0.781 . . . . 1.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.917 HG21 ' CE1' ' A' ' 102' ' ' PHE . 95.4 m -54.89 141.48 33.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 1.0 110.331 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.924 HD11 HG21 ' A' ' 109' ' ' VAL . 1.9 tp -113.5 -31.9 6.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.571 1.17 . . . . 1.0 109.284 179.907 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 1.5 p 179.11 -173.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 108.276 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 125' ' ' ASN . 4.8 mt -129.29 145.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 1.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 90' ' ' THR . 6.8 t -125.98 126.5 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 1.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -100.27 140.49 34.44 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.52 1.137 . . . . 1.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -136.61 -176.27 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 1.0 109.353 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 2.5 ptm -37.91 94.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.474 1.109 . . . . 1.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER 39.87 57.49 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.594 1.184 . . . . 1.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.23 121.65 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttt -95.47 123.75 39.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 111.074 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.741 ' O ' HG23 ' A' ' 117' ' ' ILE . 0.9 OUTLIER -124.63 157.04 36.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.354 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -116.44 158.47 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.6 mm -115.64 116.44 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.362 1.039 . . . . 1.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 7.6 pt-20 -96.74 118.67 33.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 1.0 110.288 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.853 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.49 133.01 2.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 1.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -118.28 10.5 12.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 1.0 109.334 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' SER . 1.1 mptp? -158.52 84.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.583 1.177 . . . . 1.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 78' ' ' ILE . 59.9 p -39.11 133.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 1.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -178.54 -172.57 43.05 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 1.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.574 HG22 ' H ' ' A' ' 135' ' ' VAL . 2.5 m -110.12 -174.42 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 1.0 110.34 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.588 HG11 ' H ' ' A' ' 106' ' ' GLY . 14.8 p -71.04 143.0 14.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.709 ' HD2' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -124.94 -46.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.596 1.185 . . . . 1.0 109.312 -179.966 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.42 132.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.953 HG23 HG22 ' A' ' 153' ' ' VAL . 1.3 mt -102.68 134.93 42.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 1.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -109.85 -43.49 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 1.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.601 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.4 p -68.13 155.23 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 1.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.1 147.12 37.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 1.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.2 t -60.29 91.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 1.0 110.05 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.06 -17.62 7.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 1.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -64.71 151.39 92.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 1.0 110.313 179.937 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -74.99 159.24 41.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 1.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.3 m -124.14 158.89 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.585 ' HA ' HG22 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -140.04 165.59 26.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 1.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.452 ' N ' HG22 ' A' ' 88' ' ' VAL . 19.0 t80 -59.26 138.1 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 148' ' ' PHE . 0.6 OUTLIER 54.98 19.55 2.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 13.5 tm-20 -85.75 132.64 43.66 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.137 . . . . 1.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.436 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.0 Cg_endo -75.02 134.93 18.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 1.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 91' ' ' PHE . 20.4 mt -110.19 -80.01 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.404 1.065 . . . . 1.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.953 HG22 HG23 ' A' ' 138' ' ' ILE . 9.9 t -121.81 145.62 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.914 HG13 HG13 ' A' ' 82' ' ' ILE . 23.7 t -103.22 122.22 55.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.459 ' CA ' ' HB2' ' A' ' 136' ' ' LYS . 1.6 mp -111.25 157.41 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.4 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 1.5 tt0 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 1.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.469 0.176 . . . . 1.0 110.997 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 66.99 121.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.147 . . . . 1.0 110.235 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 73' ' ' PRO . . . 59.57 168.53 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 1.0 109.253 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.0 55.84 4.07 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 1.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.79 -61.07 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.12 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 1.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 57.16 91.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -154.72 59.77 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 1.0 110.248 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 9.9 tp -162.95 158.69 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 156' ' ' GLU . 38.5 p 50.36 70.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.97 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.433 ' H ' ' CE1' ' A' ' 81' ' ' HIS . . . 163.09 90.15 0.08 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 1.0 111.054 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.635 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -123.68 171.68 9.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.762 . . . . 1.0 109.546 -179.933 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.635 HD12 ' C ' ' A' ' 81' ' ' HIS . 4.0 mp -148.21 117.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.248 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.841 HG21 HD13 ' A' ' 115' ' ' LEU . 74.7 t -74.84 116.86 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -108.61 121.23 44.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.621 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -45.78 103.96 0.37 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 1.0 109.988 179.992 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.47 8.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.526 1.803 . . . . 1.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.93 133.23 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.709 HG22 ' H ' ' A' ' 148' ' ' PHE . 18.2 t -66.02 147.46 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 155.85 -120.01 0.96 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 1.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 145' ' ' PRO . 31.8 m -132.46 163.05 29.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 0.798 . . . . 1.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.602 ' CE2' ' SG ' ' A' ' 116' ' ' CYS . 3.6 t80 -134.68 136.41 42.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -129.97 154.11 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 1.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.778 HH12 HD11 ' A' ' 103' ' ' ILE . 10.8 mmm180 -103.64 -13.27 16.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.972 HG22 ' HA ' ' A' ' 101' ' ' ALA . 45.7 p -136.2 155.76 77.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 1.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.11 21.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.43 1.753 . . . . 1.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.575 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 0.1 OUTLIER -158.34 177.27 2.17 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 1.0 109.986 -179.889 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 -41.18 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 1.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.47 19.98 19.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 1.0 109.292 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 96' ' ' SER . . . -94.17 156.94 16.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 1.0 109.366 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -58.28 169.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.357 -179.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.972 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -95.86 134.6 38.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.709 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 26.5 m-85 -58.16 -38.31 76.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 1.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.778 HD11 HH12 ' A' ' 93' ' ' ARG . 1.1 pt -146.87 105.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 1.0 109.399 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.59 123.44 30.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 1.0 110.26 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.567 HG22 HD11 ' A' ' 138' ' ' ILE . 57.5 t -40.41 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 1.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.633 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.82 12.25 19.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.146 . . . . 1.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.34 159.71 19.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 1.0 110.355 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 165.03 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 1.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.8 m -143.2 139.11 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' VAL . 9.7 p-10 -115.02 147.12 40.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.497 HG23 ' H ' ' A' ' 132' ' ' SER . 3.4 t -40.28 109.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 1.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.47 23.72 4.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 1.0 111.052 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.0 132.95 53.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 1.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.639 HG21 ' CE1' ' A' ' 102' ' ' PHE . 34.7 m -58.54 142.76 48.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 1.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.027 HD21 HG22 ' A' ' 127' ' ' ILE . 2.2 pp -112.5 -31.9 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 1.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.777 ' SG ' HD12 ' A' ' 127' ' ' ILE . 13.9 p -178.65 -176.19 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 1.0 108.335 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.774 HD13 ' O ' ' A' ' 116' ' ' CYS . 20.4 mm -125.77 153.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.784 ' CG2' HD11 ' A' ' 127' ' ' ILE . 23.3 t -132.5 124.98 52.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 1.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.21 137.23 38.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 1.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -131.75 -175.84 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.05 91.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 1.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 120' ' ' ALA . 1.6 ttpm? 46.2 47.55 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 1.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.42 114.16 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 1.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ttt -87.72 141.7 28.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 1.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.603 ' O ' HG23 ' A' ' 117' ' ' ILE . 11.2 m-80 -136.9 155.83 49.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 1.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.693 ' HG3' HD12 ' A' ' 117' ' ' ILE . 7.7 mp0 -121.76 142.64 49.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 1.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 1.027 HG22 HD21 ' A' ' 115' ' ' LEU . 5.9 mt -105.58 116.05 48.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -99.5 128.19 45.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 1.0 110.261 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.406 ' N ' HD23 ' A' ' 115' ' ' LEU . . . -40.27 133.17 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 1.0 109.253 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -109.8 14.55 23.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 1.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.0 tttm 179.93 98.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.362 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.497 ' H ' HG23 ' A' ' 111' ' ' VAL . 6.0 m -39.17 143.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.42 -174.53 47.04 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.538 1.149 . . . . 1.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 31.7 m -115.2 158.37 22.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 0.762 . . . . 1.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.633 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.7 p -49.56 162.79 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 1.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.576 ' HB3' HG12 ' A' ' 154' ' ' VAL . 4.1 tmtt? -143.93 -50.53 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 1.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.85 132.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.938 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.16 126.16 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 1.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.77 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -96.27 -44.65 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.386 1.054 . . . . 1.0 109.29 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.557 HG11 ' CE2' ' A' ' 91' ' ' PHE . 7.2 p -72.57 160.23 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -122.14 139.42 53.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 1.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.2 p -49.0 101.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 1.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 90' ' ' THR . . . 120.36 -35.54 3.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.46 151.18 7.9 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.499 0.764 . . . . 1.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.2 Cg_endo -74.98 169.0 23.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 1.0 111.055 179.923 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -136.7 157.04 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 1.0 109.236 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.489 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.0 tt0 -136.23 159.69 40.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 110.351 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.709 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.0 t80 -66.11 127.18 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 1.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.9 t70 81.88 1.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.467 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 1.5 tt0 -83.52 145.4 47.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 1.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.766 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.98 155.56 43.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 1.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.833 HD12 HG12 ' A' ' 83' ' ' VAL . 88.6 mt -127.16 -81.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 1.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.938 HG22 HG23 ' A' ' 138' ' ' ILE . 5.3 t -129.51 139.47 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.643 HG23 HD21 ' A' ' 139' ' ' LEU . 74.5 t -96.06 127.87 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 1.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.7 mp -113.13 163.78 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 1.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 3.8 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 1.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.6 ttm . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.476 0.179 . . . . 1.0 110.981 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.0 OUTLIER 177.17 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 110.296 -179.942 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.845 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . 165.14 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 1.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.845 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.1 Cg_endo -75.03 -52.42 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.429 1.752 . . . . 1.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 73' ' ' PRO . . . 75.04 -61.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.88 84.14 4.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 60.89 152.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.598 1.186 . . . . 1.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -92.76 111.18 22.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 1.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.548 HD12 ' O ' ' A' ' 132' ' ' SER . 15.5 mm 65.61 108.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 1.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.2 m -176.25 62.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.2 118.43 1.43 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.452 1.095 . . . . 1.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.507 ' CG ' ' HD2' ' A' ' 131' ' ' LYS . 10.7 t60 -120.63 159.63 24.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 1.0 109.623 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.956 ' CD1' HG13 ' A' ' 154' ' ' VAL . 15.5 mm -140.83 121.98 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 1.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.75 116.34 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -112.9 124.39 52.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 1.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -49.6 106.14 0.59 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 1.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 0.49 8.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 1.0 111.069 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.04 129.75 6.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 1.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.747 HG22 ' H ' ' A' ' 148' ' ' PHE . 24.7 t -63.15 138.15 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 1.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.04 -125.35 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.12 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.491 ' CA ' HG22 ' A' ' 146' ' ' VAL . 97.8 m -126.45 167.96 14.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 1.0 110.408 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.814 ' HD2' HD13 ' A' ' 152' ' ' LEU . 3.1 t80 -139.6 135.59 33.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.076 . . . . 1.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -128.28 162.83 26.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 1.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.437 ' CZ ' ' CD1' ' A' ' 138' ' ' ILE . 21.7 mmm-85 -109.99 -13.9 14.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 1.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.722 HG22 ' HA ' ' A' ' 101' ' ' ALA . 8.5 p -127.69 155.55 76.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.418 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.2 Cg_endo -75.06 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 1.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.511 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -139.25 178.59 1.57 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 1.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.98 153.41 41.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.9 t70 62.06 22.3 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 1.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -113.2 152.45 29.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -71.97 164.28 26.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.41 1.069 . . . . 1.0 109.27 -179.914 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.722 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -75.68 132.86 40.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.17 . . . . 1.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.882 ' CE1' HG21 ' A' ' 114' ' ' THR . 5.7 m-85 -45.5 -43.73 11.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.482 ' C ' HD13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -135.08 119.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 1.0 109.284 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -91.71 116.61 29.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 1.0 110.241 -179.985 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' GLU . 57.8 t -40.23 116.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 1.0 109.245 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.62 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 116.37 8.72 12.45 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.137 . . . . 1.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -114.74 171.15 7.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 0.735 . . . . 1.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -110.13 158.81 17.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.504 HG21 HD11 ' A' ' 115' ' ' LEU . 29.1 m -137.4 137.93 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -119.08 147.33 44.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.24 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.36 109.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.84 -21.93 6.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.141 . . . . 1.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.42 136.72 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.629 0.841 . . . . 1.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.882 HG21 ' CE1' ' A' ' 102' ' ' PHE . 98.4 m -62.14 150.81 37.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 1.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.821 HD13 ' HB2' ' A' ' 129' ' ' ALA . 0.3 OUTLIER -116.78 -38.8 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.546 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.5 p -179.93 -173.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 1.0 108.291 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.438 HG13 ' CE2' ' A' ' 102' ' ' PHE . 4.9 mt -126.61 160.42 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 1.0 109.318 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.551 ' CG2' HD11 ' A' ' 127' ' ' ILE . 3.6 t -143.99 132.92 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 1.0 109.239 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.9 tt0 -91.76 128.48 37.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -167.98 168.2 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 1.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 15.1 ptt? 42.52 45.5 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.97 51.87 4.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 1.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.73 156.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.981 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.422 ' CG ' HG21 ' A' ' 117' ' ' ILE . 36.9 ttp -74.09 144.29 45.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 1.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -137.91 99.49 3.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -73.55 150.78 41.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 1.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.551 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.2 mt -116.14 117.16 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 1.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -95.99 123.45 39.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.821 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.38 133.01 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 1.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.34 14.64 11.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.507 ' HD2' ' CG ' ' A' ' 81' ' ' HIS . 2.3 ttmm -163.2 84.64 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.473 1.108 . . . . 1.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.548 ' O ' HD12 ' A' ' 78' ' ' ILE . 53.4 p -39.2 141.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 1.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 176.12 -174.21 46.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 1.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 28.5 m -114.29 147.41 39.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.803 . . . . 1.0 110.392 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.62 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.0 p -41.49 160.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.72 ' HD3' HG12 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -143.46 -49.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.71 132.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 1.0 109.363 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.928 HG23 HG22 ' A' ' 153' ' ' VAL . 1.7 mt -100.21 120.05 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 1.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.753 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -89.08 -44.18 10.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.327 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.665 HG13 ' CE1' ' A' ' 91' ' ' PHE . 12.9 p -81.61 159.95 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 1.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.55 176.61 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 1.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 88.8 p -78.12 97.94 5.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 1.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 90' ' ' THR . . . 123.82 -37.1 2.79 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.506 1.129 . . . . 1.0 110.985 -179.956 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -46.5 150.29 1.22 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 1.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.02 176.08 10.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 1.0 111.067 179.91 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.675 HG12 ' CD2' ' A' ' 152' ' ' LEU . 0.5 OUTLIER -147.47 156.79 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 109.224 -179.954 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -139.83 161.02 38.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 1.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.747 ' H ' HG22 ' A' ' 88' ' ' VAL . 29.8 t80 -62.39 126.87 28.81 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.467 1.104 . . . . 1.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 5.2 t70 78.72 13.15 1.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 150' ' ' GLU . 3.1 tp10 -92.78 135.15 26.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 1.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.753 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.5 Cg_endo -74.95 141.03 26.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.601 1.843 . . . . 1.0 111.006 179.932 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.814 HD13 ' HD2' ' A' ' 91' ' ' PHE . 49.7 mt -113.68 -75.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.928 HG22 HG23 ' A' ' 138' ' ' ILE . 10.6 t -126.46 146.58 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.956 HG13 ' CD1' ' A' ' 82' ' ' ILE . 68.8 t -106.33 126.03 62.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.507 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.2 mt -110.37 164.04 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.507 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 14.0 tt0 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 1.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.5 ptp . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.469 0.176 . . . . 1.0 111.011 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 59.5 151.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 1.0 110.257 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.848 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -69.54 -54.58 10.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.848 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.99 103.17 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.797 . . . . 1.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.13 92.97 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 1.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 48.33 74.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 1.058 . . . . 1.0 109.252 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.79 -61.17 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 1.0 109.306 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 64.23 138.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 1.0 110.307 -179.955 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.773 ' C ' HD12 ' A' ' 78' ' ' ILE . 1.6 pp -111.2 170.7 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.641 ' HB2' HD12 ' A' ' 78' ' ' ILE . 2.9 m 47.43 -174.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 1.0 109.978 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.46 93.61 1.43 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 1.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.596 ' CE1' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -126.46 111.48 14.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 1.0 109.585 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.079 ' CD1' HG13 ' A' ' 154' ' ' VAL . 7.4 mm -93.29 123.15 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.232 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.899 HG21 ' CD2' ' A' ' 115' ' ' LEU . 57.4 t -84.23 116.36 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 1.0 109.266 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 36.1 mtm180 -107.45 123.04 47.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.718 ' CA ' HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -47.49 105.82 0.53 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 110.021 -179.941 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.64 8.63 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 1.0 111.082 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 11.9 ptp -156.25 122.03 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 1.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.769 HG22 ' H ' ' A' ' 148' ' ' PHE . 10.7 t -60.31 146.55 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.4 -119.2 0.97 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.567 1.167 . . . . 1.0 111.04 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 118' ' ' VAL . 26.1 m -128.34 168.62 15.28 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.542 0.79 . . . . 1.0 110.403 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.799 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.5 t80 -140.76 141.84 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 1.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.561 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 62.4 m-85 -135.13 156.71 48.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 1.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HD3' HG21 ' A' ' 138' ' ' ILE . 29.8 mmm-85 -103.32 -13.8 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 1.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.941 HG22 ' HA ' ' A' ' 101' ' ' ALA . 71.2 p -132.12 155.51 81.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 1.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -26.4 11.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 1.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.483 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -148.02 177.44 1.79 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.0 109.995 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.97 -45.87 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.411 1.742 . . . . 1.0 111.062 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.13 33.98 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 1.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -118.57 151.3 38.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -66.94 166.97 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 1.0 109.294 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.941 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -81.31 133.24 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 1.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.878 ' CE1' HG21 ' A' ' 114' ' ' THR . 13.0 m-85 -53.93 -40.33 66.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 1.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.519 HD12 ' CG1' ' A' ' 109' ' ' VAL . 41.7 mm -133.12 131.14 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 1.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 105' ' ' VAL . 66.8 tt0 -107.5 116.85 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 1.0 110.22 -179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.595 ' HA ' HG21 ' A' ' 135' ' ' VAL . 61.6 t -40.04 116.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.434 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.71 26.18 5.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 1.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -134.49 157.37 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 1.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 134' ' ' THR . 11.9 mtmm -99.11 169.85 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.519 ' CG1' HD12 ' A' ' 103' ' ' ILE . 18.0 m -151.28 147.71 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 111' ' ' VAL . 41.7 t30 -129.03 146.01 51.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 1.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.3 t -39.68 108.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 1.0 109.374 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.24 -14.76 5.37 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 1.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.78 132.7 42.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.459 0.74 . . . . 1.0 109.35 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.878 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.4 m -56.1 141.86 38.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 1.0 110.369 -179.903 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.899 ' CD2' HG21 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -110.22 -33.78 6.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 1.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.573 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.3 p 173.31 -173.06 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 1.0 108.354 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 3.7 mt -125.55 158.08 34.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 90' ' ' THR . 52.3 t -143.08 125.17 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 109.236 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -83.55 125.61 31.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.604 1.19 . . . . 1.0 110.306 179.899 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.484 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -172.09 175.88 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 1.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.484 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 24.0 ptm 42.31 46.7 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.43 51.8 2.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.35 170.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 1.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.26 132.62 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -122.83 95.29 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 1.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -72.02 154.94 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 1.0 110.329 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.8 mm -116.62 116.22 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 1.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 129' ' ' ALA . 10.2 tt0 -93.37 98.37 11.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 1.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.697 ' HA ' HD13 ' A' ' 115' ' ' LEU . . . 37.84 -142.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 1.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.596 ' OD2' ' CE1' ' A' ' 81' ' ' HIS . 1.8 t0 154.52 -23.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 1.0 109.362 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.564 ' HB3' ' CD2' ' A' ' 81' ' ' HIS . 5.6 tttm -170.64 95.03 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 131' ' ' LYS . 32.8 t -38.15 138.09 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.975 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 172.07 -172.65 44.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 1.0 110.977 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 108' ' ' LYS . 15.2 m -112.57 166.16 11.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 1.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.595 HG21 ' HA ' ' A' ' 105' ' ' VAL . 4.3 p -53.9 165.28 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 1.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.688 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.4 OUTLIER -149.75 -46.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 163.77 132.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.767 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -98.64 132.01 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 1.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.675 HD21 ' CG2' ' A' ' 154' ' ' VAL . 0.2 OUTLIER -103.36 -44.03 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.604 HG13 ' CE1' ' A' ' 91' ' ' PHE . 8.8 p -74.77 146.71 9.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 1.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.442 ' OE2' ' NE2' ' A' ' 144' ' ' GLN . 0.8 OUTLIER -101.56 160.1 14.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.0 110.255 -179.915 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 81.8 p -71.89 97.24 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 114.68 -5.47 22.7 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 1.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.442 ' NE2' ' OE2' ' A' ' 141' ' ' GLU . 0.0 OUTLIER -78.35 151.0 77.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 1.0 110.327 179.898 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.09 157.96 42.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 1.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.799 HG11 ' HB2' ' A' ' 91' ' ' PHE . 3.0 m -138.73 158.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.718 ' HA ' HG13 ' A' ' 88' ' ' VAL . 31.8 mt-10 -125.99 160.37 30.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 1.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.769 ' H ' HG22 ' A' ' 88' ' ' VAL . 25.7 t80 -65.71 130.19 42.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 1.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.9 t70 82.91 -5.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -81.57 144.9 53.66 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.0 110.305 -179.96 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.543 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.92 155.4 43.31 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.47 1.774 . . . . 1.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.718 HD11 ' CA ' ' A' ' 85' ' ' SER . 26.2 mt -127.88 -77.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.767 HG22 HG23 ' A' ' 138' ' ' ILE . 10.5 t -118.83 143.4 30.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 1.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 1.079 HG13 ' CD1' ' A' ' 82' ' ' ILE . 44.0 t -101.49 121.19 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.861 ' CD1' HD21 ' A' ' 115' ' ' LEU . 3.4 mt -112.82 163.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.409 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 1.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.1 mmm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.47 0.176 . . . . 1.0 110.993 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -175.28 149.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.29 91.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 115.3 4.25 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 1.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.42 159.02 15.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 1.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.32 158.04 16.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 1.0 109.342 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -174.18 72.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 1.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -177.57 111.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 1.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.521 ' HA ' HD13 ' A' ' 78' ' ' ILE . 6.3 mm 63.74 153.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.0 109.357 -179.911 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.0 p 63.78 44.24 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 1.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.95 116.89 2.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.414 1.072 . . . . 1.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 106.68 14.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 1.0 109.55 -179.917 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 mp -94.06 116.33 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 1.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.683 HG12 HD12 ' A' ' 152' ' ' LEU . 72.7 t -81.67 116.9 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -104.71 122.67 46.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 1.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.86 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -38.67 99.26 0.19 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 1.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.01 0.26 9.12 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.535 1.808 . . . . 1.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.5 tpp -158.71 111.44 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 1.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.798 HG13 ' HA ' ' A' ' 147' ' ' GLU . 11.5 t -53.6 138.86 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.25 -120.51 1.0 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.442 1.089 . . . . 1.0 110.944 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 91' ' ' PHE . 94.8 m -125.24 168.83 12.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 1.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.657 ' HB2' HG11 ' A' ' 146' ' ' VAL . 9.0 t80 -137.87 140.12 40.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 1.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.565 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 68.3 m-85 -135.33 146.86 48.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 1.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -95.08 -13.87 24.75 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.534 1.146 . . . . 1.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 101' ' ' ALA . 59.3 p -130.37 156.59 79.27 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 1.0 110.424 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -74.95 -48.18 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.493 1.786 . . . . 1.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.52 179.08 1.25 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 110.013 179.977 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.0 149.94 37.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.44 1.758 . . . . 1.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 71.72 6.5 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 1.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -104.29 136.43 43.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.263 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -51.86 -176.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 1.0 109.226 -179.955 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.908 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -97.87 132.61 43.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 1.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.827 ' CE1' HG21 ' A' ' 114' ' ' THR . 11.0 m-85 -49.03 -40.64 31.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 1.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.724 HD13 HG11 ' A' ' 109' ' ' VAL . 6.4 tp -128.34 92.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 1.0 109.262 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -74.29 112.31 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.244 -179.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.576 HG22 HD11 ' A' ' 138' ' ' ILE . 60.6 t -40.33 116.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.647 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 108.19 12.12 22.52 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 1.0 110.995 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -116.47 166.06 12.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 1.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.89 162.42 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.724 HG11 HD13 ' A' ' 103' ' ' ILE . 34.5 m -141.78 136.86 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 8.7 t-20 -117.01 149.21 40.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 1.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.31 109.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.75 -27.71 4.58 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.14 . . . . 1.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.18 138.78 38.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 0.768 . . . . 1.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.827 HG21 ' CE1' ' A' ' 102' ' ' PHE . 59.5 m -56.51 165.29 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 1.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 129' ' ' ALA . 0.2 OUTLIER -127.33 -43.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.566 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -178.64 -158.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 1.0 108.362 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.545 HG22 ' CE ' ' A' ' 124' ' ' MET . 4.6 mt -143.54 152.53 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.689 ' CG2' HD11 ' A' ' 127' ' ' ILE . 47.4 t -136.18 127.99 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 1.0 109.216 179.936 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.419 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 3.2 tt0 -88.39 128.61 35.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 1.0 110.294 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -171.04 167.24 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 4.2 ptm 42.64 45.01 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.6 51.84 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.59 155.47 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 1.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.545 ' CE ' HG22 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -89.29 131.83 35.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 1.0 111.038 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -124.83 108.77 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 1.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.605 ' CG ' HG23 ' A' ' 114' ' ' THR . 7.8 tt0 -77.18 150.27 35.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 1.0 110.268 -179.94 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.689 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.4 mt -109.49 117.23 54.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 1.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -94.19 124.57 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 1.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.887 ' HB2' HD23 ' A' ' 115' ' ' LEU . . . -41.89 137.19 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 1.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.6 16.27 7.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 1.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.479 ' NZ ' ' H ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -168.75 85.54 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.474 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 12.0 m -39.22 132.94 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 1.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -173.99 -173.3 39.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 1.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 94.4 m -116.6 155.27 29.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 1.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.647 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.3 p -47.91 160.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 1.8 ttpp -145.07 -47.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 1.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 173.0 133.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.862 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -104.97 118.2 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 109.315 -179.95 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.739 HD23 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -86.5 -44.36 12.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.648 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.1 p -81.49 151.78 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 1.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -107.94 174.17 6.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 1.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.429 ' N ' ' OE1' ' A' ' 141' ' ' GLU . 11.3 t -79.13 92.52 5.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 1.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.05 -21.71 6.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 1.0 110.983 179.925 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 150.2 84.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.514 0.773 . . . . 1.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -74.94 170.16 21.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.42 1.748 . . . . 1.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.657 HG11 ' HB2' ' A' ' 91' ' ' PHE . 35.8 m -148.93 158.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.798 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.7 mt-10 -139.47 160.93 38.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.76 ' H ' HG22 ' A' ' 88' ' ' VAL . 9.9 t80 -63.21 133.97 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 1.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.56 -6.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 1.0 109.266 179.973 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 151' ' ' PRO . 0.6 OUTLIER -86.12 142.61 36.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.319 -179.95 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.726 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.7 Cg_endo -74.92 158.18 42.67 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.515 1.797 . . . . 1.0 111.069 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.86 HD11 ' HA ' ' A' ' 85' ' ' SER . 81.3 mt -125.09 -81.91 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.588 1.18 . . . . 1.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.862 HG22 HG23 ' A' ' 138' ' ' ILE . 11.1 t -126.74 139.0 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.679 HG23 HD21 ' A' ' 139' ' ' LEU . 48.0 t -98.58 125.32 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 1.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 2.8 mp -115.7 163.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 26.5 tt0 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 1.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.537 0.208 . . . . 1.0 111.022 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -78.9 73.09 5.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.093 . . . . 1.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.15 92.06 4.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.63 1.206 . . . . 1.0 109.24 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 173.58 14.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.459 1.768 . . . . 1.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.68 172.28 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 1.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.3 -62.25 1.48 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.407 1.067 . . . . 1.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.56 62.11 1.01 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 1.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 60.12 120.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.0 tp -138.88 144.69 29.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 1.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.3 p -167.82 89.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 1.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 138.6 87.64 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 1.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.511 ' CG ' ' HD2' ' A' ' 131' ' ' LYS . 0.5 OUTLIER -111.79 162.96 14.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 1.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.431 HG13 HG13 ' A' ' 154' ' ' VAL . 4.0 mp -138.88 116.04 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.913 HG21 HD23 ' A' ' 115' ' ' LEU . 38.8 t -77.32 117.89 23.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.422 1.076 . . . . 1.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -107.96 127.0 53.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 1.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.845 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -42.53 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 1.0 109.978 -179.985 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 0.59 8.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.782 . . . . 1.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -168.38 126.72 1.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 1.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.848 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.7 t -58.18 139.06 18.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.14 -127.42 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 143' ' ' GLY . 88.8 m -126.37 162.91 24.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 1.0 110.391 -179.929 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.736 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -133.94 134.32 42.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 1.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 53.6 m-85 -127.68 151.59 48.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 1.0 111.082 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.422 ' CZ ' HG21 ' A' ' 138' ' ' ILE . 28.6 mmm-85 -99.35 -13.6 19.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 1.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.911 HG22 ' HA ' ' A' ' 101' ' ' ALA . 30.9 p -135.98 155.6 77.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 1.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -28.99 8.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.527 1.804 . . . . 1.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -147.4 178.7 1.35 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.992 -179.981 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.05 -40.11 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.455 1.766 . . . . 1.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.27 36.35 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -120.42 152.53 37.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 1.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -68.28 168.36 12.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 1.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.911 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -80.71 133.09 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.72 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 15.9 m-85 -53.41 -39.96 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 tt -129.36 119.83 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' VAL . 28.8 tt0 -93.38 109.19 20.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 110.359 179.936 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.407 ' HA ' HG21 ' A' ' 135' ' ' VAL . 54.3 t -40.23 115.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.558 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 100.69 31.69 5.67 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.442 1.089 . . . . 1.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.84 165.63 15.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 0.72 . . . . 1.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.2 118.74 37.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.08 . . . . 1.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 132' ' ' SER . 30.7 m -114.98 137.05 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 1.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.407 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 4.7 p30 -118.52 146.79 44.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.68 HG23 ' HA ' ' A' ' 130' ' ' ASP . 2.6 p -40.23 109.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 1.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.44 -11.49 6.06 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.73 136.68 34.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 1.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.588 HG21 ' CE1' ' A' ' 102' ' ' PHE . 22.0 m -57.91 143.58 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 1.0 110.349 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.045 HD13 ' HB2' ' A' ' 129' ' ' ALA . 2.1 tp -112.02 -30.85 7.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.759 ' O ' HD13 ' A' ' 117' ' ' ILE . 23.8 p 177.91 -169.9 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 1.0 108.233 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 116' ' ' CYS . 24.8 mm -129.03 154.59 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 109.305 -179.931 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.83 ' CG2' HD11 ' A' ' 127' ' ' ILE . 41.5 t -134.18 127.28 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -101.58 135.53 42.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 1.0 110.351 179.941 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' LYS . . . -130.43 -175.86 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.18 91.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 1.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 120' ' ' ALA . 0.1 OUTLIER 44.35 47.98 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.58 114.09 3.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 110.985 179.906 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.3 ttt -83.78 143.39 30.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 1.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 117' ' ' ILE . 3.2 m-80 -138.93 155.05 48.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.617 ' CG ' HD12 ' A' ' 117' ' ' ILE . 0.3 OUTLIER -122.76 144.66 49.03 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.489 1.118 . . . . 1.0 110.296 -179.944 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.83 HD11 ' CG2' ' A' ' 118' ' ' VAL . 1.4 mt -104.42 116.84 48.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 1.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -101.1 113.23 26.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 1.045 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.42 132.87 1.99 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.68 ' HA ' HG23 ' A' ' 111' ' ' VAL . 33.3 t70 -114.83 13.62 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 1.0 109.275 -179.934 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.511 ' HD2' ' CG ' ' A' ' 81' ' ' HIS . 8.0 pttm -165.65 97.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 2.0 m -39.06 154.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 1.0 110.008 179.919 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.8 -172.91 41.04 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 1.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.754 ' O ' HG12 ' A' ' 135' ' ' VAL . 4.0 m -135.36 58.69 1.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 1.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 134' ' ' THR . 6.8 p 50.56 177.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.47 1.106 . . . . 1.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.688 ' H ' HG22 ' A' ' 135' ' ' VAL . 4.9 tttt -166.0 -50.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 1.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.08 132.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 1.018 HG23 HG22 ' A' ' 153' ' ' VAL . 1.3 mm -98.28 135.02 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -105.16 -44.54 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 1.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.653 HG13 ' CE1' ' A' ' 91' ' ' PHE . 10.5 p -80.64 148.94 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.6 164.14 12.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 1.0 110.339 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.26 103.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.037 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 113.99 -29.52 7.68 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 1.0 110.993 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 8.6 tt0 -52.32 140.7 33.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 1.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.4 Cg_endo -74.93 160.48 40.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 1.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.736 HG11 ' HB2' ' A' ' 91' ' ' PHE . 2.1 m -139.9 159.49 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 1.0 109.371 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.678 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.1 tt0 -131.53 161.63 32.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.848 ' H ' HG22 ' A' ' 88' ' ' VAL . 21.9 t80 -64.52 130.94 45.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 1.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.2 t70 83.97 0.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 1.0 109.348 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.474 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 10.8 mm-40 -90.0 149.93 42.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 1.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.64 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.1 Cg_endo -74.99 158.67 42.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.56 1.821 . . . . 1.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.845 HD11 ' HA ' ' A' ' 85' ' ' SER . 98.3 mt -131.64 -81.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 1.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 1.018 HG22 HG23 ' A' ' 138' ' ' ILE . 79.3 t -124.69 151.43 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.448 HG12 ' CD ' ' A' ' 136' ' ' LYS . 40.6 t -114.94 124.32 71.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 156' ' ' GLU . 5.2 mp -116.15 167.1 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 1.0 109.232 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.53 ' N ' HG22 ' A' ' 155' ' ' ILE . 6.7 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 110.367 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.47 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . 1.5 mtp . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.397 0.141 . . . . 1.0 111.069 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -98.05 -78.45 0.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 1.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.857 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -60.58 -54.64 52.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.857 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.95 85.42 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.445 1.76 . . . . 1.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.9 96.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 1.0 109.252 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.55 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -60.82 -61.1 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 1.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . 74.49 -62.06 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 1.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 60.34 168.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 1.0 110.362 -179.89 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mt -64.16 -69.07 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 1.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.36 -48.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.51 142.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 1.0 111.0 179.962 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.752 ' CE1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.73 110.08 9.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 1.0 109.651 179.932 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.969 ' CD1' HG13 ' A' ' 154' ' ' VAL . 7.7 mm -96.18 123.41 48.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 1.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.781 HG21 HD23 ' A' ' 115' ' ' LEU . 47.8 t -85.93 116.4 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 1.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 20.9 mtt180 -118.18 123.66 46.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 1.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.46 ' CB ' ' HB ' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -51.86 107.25 0.79 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.983 -179.996 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.7 8.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 1.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.5 tpp -163.56 125.02 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 1.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.759 HG22 ' HA ' ' A' ' 147' ' ' GLU . 17.7 t -46.85 150.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 1.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.543 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 161.06 -134.51 3.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 143' ' ' GLY . 52.5 m -138.66 126.0 21.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 1.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.659 ' CD2' HG11 ' A' ' 140' ' ' VAL . 6.0 t80 -89.26 135.0 33.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 1.0 111.056 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.527 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 42.2 m-85 -133.37 142.62 48.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 103' ' ' ILE . 10.3 mmm180 -91.0 -16.03 28.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 1.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.918 HG22 ' HA ' ' A' ' 101' ' ' ALA . 63.4 p -129.75 156.36 78.98 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.533 1.146 . . . . 1.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.97 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 1.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.512 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -143.59 179.09 1.25 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 1.0 109.995 -179.952 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.2 Cg_endo -74.99 150.93 38.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.476 1.777 . . . . 1.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 t0 70.49 7.61 6.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 1.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -105.27 136.74 44.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 1.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -51.87 -176.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.918 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -98.58 132.47 43.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 1.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.883 ' CE1' HG21 ' A' ' 114' ' ' THR . 6.1 m-85 -47.79 -42.78 26.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 1.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 115' ' ' LEU . 4.8 pt -131.92 120.97 45.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 1.0 109.377 179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -99.27 118.0 34.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.639 HG22 HD11 ' A' ' 138' ' ' ILE . 61.9 t -40.29 116.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.634 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 112.04 15.89 9.56 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.52 1.137 . . . . 1.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -121.89 159.92 25.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.796 . . . . 1.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.45 163.37 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.648 HG21 HD11 ' A' ' 115' ' ' LEU . 21.9 m -141.83 131.29 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 1.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -117.22 150.04 39.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 1.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.6 t -40.59 111.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.38 16.96 6.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.442 1.089 . . . . 1.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.12 133.65 55.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.883 HG21 ' CE1' ' A' ' 102' ' ' PHE . 88.8 m -63.36 141.74 58.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 1.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.01 HD21 ' CD1' ' A' ' 155' ' ' ILE . 1.5 tp -113.69 -31.53 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 1.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.605 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 30.8 p -178.99 -164.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 1.0 108.324 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.49 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.6 mt -137.94 153.22 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 1.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.54 117.33 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 1.0 109.244 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -99.02 131.31 45.16 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 1.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.458 ' O ' ' CG ' ' A' ' 123' ' ' MET . . . -163.98 160.61 22.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 1.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 52.89 19.36 1.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 1.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.23 42.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 1.0 109.238 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.458 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -156.86 150.78 24.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ptp -91.49 141.46 28.71 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 1.108 . . . . 1.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -139.48 99.74 3.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 1.0 109.307 -179.96 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.777 ' CG ' HG23 ' A' ' 114' ' ' THR . 26.6 tt0 -63.56 146.46 53.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 1.0 110.226 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.6 mm -108.74 115.89 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 1.0 109.237 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -91.25 132.07 36.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 1.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -42.01 133.17 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 1.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -117.63 15.89 14.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 81' ' ' HIS . 11.1 tmtt? -174.71 85.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 131' ' ' LYS . 42.9 t -39.39 137.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 179.29 -173.31 45.34 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.0 m -113.8 148.88 35.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 0.731 . . . . 1.0 110.44 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.634 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.4 p -40.52 157.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.572 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -142.58 -47.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 1.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.98 133.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 1.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.839 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -100.35 121.38 51.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 1.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 1.035 HD21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -90.93 -44.25 9.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.25 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.659 HG11 ' CD2' ' A' ' 91' ' ' PHE . 12.0 p -74.79 152.8 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 1.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 143' ' ' GLY . 0.0 OUTLIER -115.44 130.35 56.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 1.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.8 t -38.99 96.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 1.0 110.108 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 90' ' ' THR . . . 129.99 -40.86 1.61 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.47 1.107 . . . . 1.0 111.034 -179.897 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 141' ' ' GLU . 76.2 mt-30 -47.37 148.1 2.46 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.466 0.745 . . . . 1.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -74.99 174.73 12.28 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.497 1.788 . . . . 1.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.756 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.3 m -139.75 158.74 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 1.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.759 ' HA ' HG22 ' A' ' 88' ' ' VAL . 2.6 tt0 -136.98 172.38 13.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.075 . . . . 1.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 149' ' ' ASP . 27.3 t80 -69.62 113.91 7.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 1.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 4.1 t70 82.94 9.66 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -78.42 148.9 74.64 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.386 1.054 . . . . 1.0 110.2 -179.91 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.729 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.95 154.27 42.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 1.0 111.05 179.934 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 91' ' ' PHE . 96.6 mt -134.21 -81.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 1.0 109.391 179.955 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.839 HG22 HG23 ' A' ' 138' ' ' ILE . 11.3 t -129.19 152.6 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 1.0 109.378 179.91 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 1.035 HG23 HD21 ' A' ' 139' ' ' LEU . 57.6 t -111.02 132.89 58.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 1.01 ' CD1' HD21 ' A' ' 115' ' ' LEU . 5.2 mt -124.67 164.1 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.5 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.4 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 1.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.449 0.166 . . . . 1.0 110.985 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.45 -32.4 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 1.0 110.248 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.54 ' HB1' ' HD2' ' A' ' 73' ' ' PRO . . . 59.67 166.0 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 1.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.54 ' HD2' ' HB1' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.99 -40.01 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.772 . . . . 1.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 73' ' ' PRO . . . 71.47 -62.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.35 69.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.88 -61.67 1.37 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.552 1.157 . . . . 1.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 67.94 94.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 1.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.428 ' O ' ' CB ' ' A' ' 79' ' ' SER . 8.2 mm -56.6 156.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 1.0 109.299 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 3.9 t 80.01 55.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 110.047 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.48 101.84 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.133 . . . . 1.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.78 109.34 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 1.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.531 HG13 HG13 ' A' ' 154' ' ' VAL . 2.0 mt -89.67 133.24 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.6 t -91.6 141.44 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 1.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -120.95 123.74 43.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 1.0 110.29 -179.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.725 ' HA ' HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -41.72 101.47 0.24 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 1.0 110.011 -179.961 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 0.34 9.03 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.427 1.751 . . . . 1.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.778 ' CG ' HG11 ' A' ' 118' ' ' VAL . 11.1 ptm -156.5 126.75 6.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 1.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.794 HG22 ' H ' ' A' ' 148' ' ' PHE . 22.0 t -68.41 138.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.88 -122.94 1.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.559 1.162 . . . . 1.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 91' ' ' PHE . 52.9 m -126.3 168.78 13.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 0.815 . . . . 1.0 110.438 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.719 ' HB2' HG11 ' A' ' 146' ' ' VAL . 4.3 t80 -136.74 141.26 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 1.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.556 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.8 m-85 -136.28 150.9 49.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 1.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.548 ' NH1' ' CG2' ' A' ' 103' ' ' ILE . 12.4 mmm180 -98.35 -13.73 20.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 1.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.855 HG22 ' HA ' ' A' ' 101' ' ' ALA . 23.6 p -136.3 155.69 77.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 1.0 110.353 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.418 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.5 Cg_endo -74.98 -51.98 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.761 . . . . 1.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.52 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.3 OUTLIER -137.01 178.76 1.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 110.052 -179.986 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.52 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.01 151.14 39.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 1.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 65.04 12.27 7.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 1.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 96' ' ' SER . . . -101.94 145.87 28.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 1.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 168.68 1.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.855 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -93.81 133.12 37.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 1.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.796 ' CD1' HG21 ' A' ' 114' ' ' THR . 29.1 m-85 -54.96 -37.94 67.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.548 ' CG2' ' NH1' ' A' ' 93' ' ' ARG . 19.9 tt -130.18 101.82 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -90.17 115.51 27.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 1.0 110.367 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.684 HG22 HD11 ' A' ' 138' ' ' ILE . 89.6 t -40.69 116.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 1.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.727 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 105.61 22.28 8.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 1.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.78 157.93 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 1.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -106.24 153.47 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 1.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 132' ' ' SER . 34.6 m -133.17 134.52 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.478 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 15.4 p30 -117.75 151.0 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.07 109.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.17 -31.69 3.98 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.538 1.149 . . . . 1.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 129' ' ' ALA . 0.5 OUTLIER -74.77 137.37 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 1.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.796 HG21 ' CD1' ' A' ' 102' ' ' PHE . 89.8 m -54.95 175.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 1.0 110.395 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' ' 129' ' ' ALA . 2.6 tp -136.76 -46.42 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.584 ' SG ' ' CE2' ' A' ' 91' ' ' PHE . 13.7 p -177.96 -157.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 108.28 179.93 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.598 HD11 ' CE2' ' A' ' 102' ' ' PHE . 3.7 mt -141.34 155.49 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 1.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.778 HG11 ' CG ' ' A' ' 87' ' ' MET . 6.8 t -141.2 130.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 4.2 tt0 -88.5 134.63 33.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -176.2 169.45 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.602 1.189 . . . . 1.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.493 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 17.7 ptp 42.52 46.29 4.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 1.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.3 tttp 41.36 51.78 3.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 1.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.0 156.39 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -77.52 143.2 38.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 1.0 111.022 179.904 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -135.5 99.45 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.358 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -67.52 154.7 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 1.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.7 mm -117.83 115.82 49.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.367 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.98 139.48 31.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 1.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.635 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -58.22 133.16 55.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -122.88 16.22 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 1.0 109.237 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.68 91.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.555 1.159 . . . . 1.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.478 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 79.3 p -39.19 134.24 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 1.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.42 -172.79 33.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.44 1.088 . . . . 1.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 27.6 m -127.78 146.97 50.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 1.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.727 HG11 ' H ' ' A' ' 106' ' ' GLY . 11.7 p -42.0 161.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 1.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.605 ' HB3' HG12 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -151.73 -46.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 170.9 132.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 1.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.812 HG23 HG22 ' A' ' 153' ' ' VAL . 0.6 OUTLIER -104.47 130.4 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.652 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -99.67 -46.06 5.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 1.0 109.284 -179.925 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.628 HG13 ' CE1' ' A' ' 91' ' ' PHE . 13.9 p -80.73 138.11 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 1.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.465 ' HG2' ' CG ' ' A' ' 144' ' ' GLN . 10.0 pt-20 -99.03 178.38 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 1.0 110.219 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.5 p -78.08 93.5 4.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 1.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.556 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 129.17 -31.52 3.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.529 1.143 . . . . 1.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.465 ' CG ' ' HG2' ' A' ' 141' ' ' GLU . 0.6 OUTLIER -52.93 148.76 13.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 1.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.0 Cg_endo -75.08 175.66 10.95 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.563 1.823 . . . . 1.0 110.974 -179.888 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.719 HG11 ' HB2' ' A' ' 91' ' ' PHE . 20.8 m -151.63 157.98 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 1.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.524 ' CD ' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -148.62 156.37 42.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 1.0 110.319 179.917 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.794 ' H ' HG22 ' A' ' 88' ' ' VAL . 11.3 t80 -59.85 137.64 58.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.45 -5.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.226 179.962 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.458 ' HG3' ' CB ' ' A' ' 147' ' ' GLU . 40.1 mm-40 -90.2 146.03 34.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 1.0 110.29 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.652 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.04 156.7 42.82 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 1.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.725 HD11 ' HA ' ' A' ' 85' ' ' SER . 26.2 mt -123.04 -81.75 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.812 HG22 HG23 ' A' ' 138' ' ' ILE . 48.4 t -124.44 137.72 56.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 1.0 109.296 -179.929 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.605 HG12 ' HB3' ' A' ' 136' ' ' LYS . 57.4 t -95.0 116.48 36.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 1.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 11.2 mm -107.43 163.69 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.371 179.924 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.493 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 2.8 tt0 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.605 1.191 . . . . 1.0 110.322 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.505 0.193 . . . . 1.0 111.024 . . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' CG ' ' HD2' ' A' ' 73' ' ' PRO . 2.4 pm0 44.04 -169.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.341 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.875 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -78.8 -56.25 0.91 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 1.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.93 126.68 10.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.433 1.754 . . . . 1.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.07 115.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 1.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.27 176.02 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 1.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -171.1 126.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 1.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -172.99 103.85 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.368 1.042 . . . . 1.0 110.354 -179.995 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.57 HG23 ' H ' ' A' ' 79' ' ' SER . 4.4 tp -141.25 -60.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.57 ' H ' HG23 ' A' ' 78' ' ' ILE . 7.7 m -39.37 104.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 1.0 110.05 179.959 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.91 82.67 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 1.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.48 ' N ' ' ND1' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -106.11 98.22 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 1.0 109.567 -179.931 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.953 HG13 HG13 ' A' ' 154' ' ' VAL . 2.8 mp -85.86 116.05 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 1.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -87.8 122.89 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 1.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' SER . 49.5 mtt180 -98.43 132.2 44.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 1.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.67 ' HA ' HD11 ' A' ' 152' ' ' LEU . 8.8 p -38.45 103.32 0.27 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 1.0 110.036 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 0.27 9.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 1.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.99 131.18 6.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.579 1.174 . . . . 1.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.905 HG22 ' H ' ' A' ' 148' ' ' PHE . 5.6 t -71.16 139.33 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 1.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.72 -117.51 0.82 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 1.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.465 ' O ' HG13 ' A' ' 118' ' ' VAL . 73.7 m -129.18 167.82 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 1.0 110.404 -179.932 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.715 ' HB2' HG11 ' A' ' 146' ' ' VAL . 2.9 t80 -137.56 137.99 39.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -129.46 155.95 44.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 1.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' HD3' HG21 ' A' ' 138' ' ' ILE . 18.8 mmm180 -103.25 -13.59 16.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.802 HG22 ' HA ' ' A' ' 101' ' ' ALA . 29.0 p -126.82 155.56 75.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 1.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.471 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 18.2 Cg_endo -74.97 -33.2 4.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.557 1.82 . . . . 1.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.87 172.34 7.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 109.985 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.72 14.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.468 1.773 . . . . 1.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -121.65 63.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 1.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -153.12 146.95 25.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 1.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.97 167.94 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 1.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.802 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -69.75 132.39 46.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.864 ' CE1' HG21 ' A' ' 114' ' ' THR . 3.1 m-85 -40.4 -45.46 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 1.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.712 HD11 ' O ' ' A' ' 114' ' ' THR . 1.2 mp -130.19 163.89 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 1.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.503 ' N ' ' CG2' ' A' ' 103' ' ' ILE . 20.6 pt-20 -123.85 115.21 20.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.604 1.19 . . . . 1.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.653 ' CG2' HD11 ' A' ' 138' ' ' ILE . 62.9 t -40.24 115.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 1.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.559 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.53 25.55 5.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.551 1.157 . . . . 1.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.53 164.02 15.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 0.753 . . . . 1.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.593 ' HG3' HG22 ' A' ' 134' ' ' THR . 1.9 mptp? -101.73 114.79 29.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 1.0 109.232 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 132' ' ' SER . 18.9 m -107.7 136.91 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 1.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -129.63 152.47 49.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.2 t -40.36 109.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 1.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 132.04 -23.83 4.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.088 . . . . 1.0 111.02 -179.941 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.91 136.98 32.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 0.803 . . . . 1.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.864 HG21 ' CE1' ' A' ' 102' ' ' PHE . 92.2 m -59.2 174.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.509 ' H ' HG22 ' A' ' 114' ' ' THR . 3.5 tp -136.14 -46.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.627 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.4 p -178.5 -173.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 108.301 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 95' ' ' PRO . 3.3 mt -125.51 161.57 29.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 1.0 109.227 -179.888 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 90' ' ' THR . 40.2 t -144.33 124.6 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.443 1.09 . . . . 1.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.406 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 2.6 tt0 -82.08 126.87 32.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 1.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -173.1 170.83 4.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 1.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.499 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 22.9 ptm 42.45 46.15 4.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 1.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.1 ptmm? 40.84 51.75 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 1.0 109.292 179.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -176.02 161.0 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 1.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.03 127.81 36.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -115.79 124.86 51.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -88.53 145.58 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 1.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.422 HD11 HG21 ' A' ' 118' ' ' VAL . 3.8 mt -114.58 115.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.25 138.86 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -43.88 133.14 5.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -113.14 14.65 19.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 1.0 109.253 -179.923 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.34 105.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.0 109.353 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 109' ' ' VAL . 45.6 t -39.29 154.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 1.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 155' ' ' ILE . . . -177.34 -172.58 42.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.748 ' O ' HG12 ' A' ' 135' ' ' VAL . 1.8 p -134.07 55.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 1.0 110.431 179.953 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.748 HG12 ' O ' ' A' ' 134' ' ' THR . 5.8 p 50.49 179.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.72 ' H ' HG22 ' A' ' 135' ' ' VAL . 0.0 OUTLIER -163.41 -49.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 1.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 166.86 133.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.895 HG23 HG22 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -97.38 132.99 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 1.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.24 -43.93 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 1.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.597 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.9 p -68.86 156.17 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.629 1.206 . . . . 1.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.407 ' HB2' ' NE2' ' A' ' 144' ' ' GLN . 2.3 mt-10 -110.49 155.84 21.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 1.0 110.231 -179.945 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.9 p -70.44 93.64 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 1.0 109.986 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 90' ' ' THR . . . 122.44 -22.84 7.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 1.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.462 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -62.27 151.64 81.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.749 . . . . 1.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.2 Cg_endo -75.04 163.57 35.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 1.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.715 HG11 ' HB2' ' A' ' 91' ' ' PHE . 18.8 m -143.1 157.34 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 1.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.585 ' HA ' HG13 ' A' ' 88' ' ' VAL . 2.1 tt0 -139.92 138.85 35.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 1.0 110.291 -179.919 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.905 ' H ' HG22 ' A' ' 88' ' ' VAL . 2.6 t80 -50.53 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 1.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 1.1 p30 150.65 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 1.0 109.295 179.937 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.442 ' N ' ' OD1' ' A' ' 149' ' ' ASP . 9.0 mm-40 -64.39 141.42 98.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.05 41.36 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.49 1.784 . . . . 1.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.67 HD11 ' HA ' ' A' ' 85' ' ' SER . 94.9 mt -105.3 -78.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.895 HG22 HG23 ' A' ' 138' ' ' ILE . 3.5 t -130.44 139.81 50.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.953 HG13 HG13 ' A' ' 82' ' ' ILE . 6.3 t -96.94 127.14 49.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.472 ' CG2' ' HA3' ' A' ' 133' ' ' GLY . 4.5 mp -110.25 163.4 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 1.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.439 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 1.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.788 ' N ' ' HG ' ' A' ' 132' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.577 0.227 . . . . 1.0 110.997 . . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -116.6 -35.94 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.65 154.54 84.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -46.36 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 1.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -134.44 88.13 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 1.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.497 ' HB2' ' CE ' ' A' ' 70' ' ' MET . . . -53.99 -61.33 2.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 1.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -169.0 -61.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 1.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -153.36 73.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 1.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.656 HD12 ' N ' ' A' ' 79' ' ' SER . 2.3 pp -67.01 -171.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 109.401 179.921 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.656 ' N ' HD12 ' A' ' 78' ' ' ILE . 1.5 m 64.74 60.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 110.033 -179.917 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.88 105.35 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.547 1.154 . . . . 1.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.481 ' CB ' ' NZ ' ' A' ' 131' ' ' LYS . 0.1 OUTLIER -108.36 169.41 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.776 . . . . 1.0 109.626 179.977 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.829 ' CD1' HG13 ' A' ' 154' ' ' VAL . 18.3 mm -140.91 115.92 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 1.0 109.373 179.912 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG12 HD12 ' A' ' 152' ' ' LEU . 63.5 t -79.23 116.43 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 1.0 109.319 -179.937 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 7.2 mtp85 -113.72 121.86 45.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.43 ' OG ' HD11 ' A' ' 152' ' ' LEU . 0.3 OUTLIER -52.7 107.67 0.9 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.383 1.052 . . . . 1.0 109.945 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.55 8.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 1.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.16 128.25 9.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 1.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.646 HG22 ' H ' ' A' ' 148' ' ' PHE . 43.6 t -60.07 151.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.481 ' C ' HG22 ' A' ' 146' ' ' VAL . . . 153.35 -113.7 0.59 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.514 1.134 . . . . 1.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 144' ' ' GLN . 24.2 m -146.81 162.6 38.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 1.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.613 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.4 t80 -126.99 138.12 53.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 1.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.567 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 47.9 m-85 -134.32 148.18 50.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 1.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.467 ' CG ' ' HB3' ' A' ' 142' ' ' SER . 11.6 mmm-85 -94.81 -17.48 22.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 1.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.979 HG22 ' HA ' ' A' ' 101' ' ' ALA . 45.8 p -136.44 155.51 77.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 1.0 110.33 -179.921 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.496 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 18.4 Cg_endo -74.97 -10.89 21.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.599 1.841 . . . . 1.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -163.84 173.96 3.72 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 1.0 109.949 -179.995 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.98 -35.07 3.37 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.423 1.749 . . . . 1.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.92 34.04 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -119.04 152.79 35.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 1.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -54.51 179.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 1.0 109.226 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.979 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -108.44 134.9 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.993 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 41.3 m-85 -65.52 -35.83 82.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 1.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 103' ' ' ILE . 18.8 tt -140.07 104.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 1.0 109.372 179.927 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.618 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 1.8 mt-10 -94.82 117.55 30.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 1.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -40.27 116.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.683 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.52 21.7 7.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.102 . . . . 1.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.07 160.24 33.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 1.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 160.33 15.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.7 m -138.99 144.58 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 1.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 5.2 m120 -117.6 145.09 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 1.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.684 HG23 ' H ' ' A' ' 132' ' ' SER . 3.2 t -40.05 108.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 1.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.03 -11.24 10.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 1.0 111.06 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.39 138.55 31.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 1.0 109.363 179.924 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.844 HG21 ' CD1' ' A' ' 102' ' ' PHE . 62.0 m -61.81 142.77 57.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 110.34 -179.917 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.027 HD21 HG22 ' A' ' 127' ' ' ILE . 1.7 pp -112.52 -32.88 6.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 1.0 109.226 -179.934 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.858 ' O ' HD13 ' A' ' 117' ' ' ILE . 14.7 p -178.88 -157.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 1.0 108.289 -179.954 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.993 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 4.0 mm -137.9 160.41 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 1.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.489 ' CG2' HD11 ' A' ' 127' ' ' ILE . 58.4 t -143.04 116.9 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -86.35 126.16 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -165.75 162.42 18.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 1.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 48.23 34.6 4.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.96 47.02 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.329 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 3.6 mtt -164.8 153.03 12.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.446 ' SD ' ' NE2' ' A' ' 126' ' ' GLN . 2.5 ttm -78.96 128.23 33.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -122.29 94.55 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.649 ' CG ' HD12 ' A' ' 117' ' ' ILE . 1.5 mt-30 -65.34 147.54 53.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 1.027 HG22 HD21 ' A' ' 115' ' ' LEU . 5.0 mm -109.49 116.17 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.65 125.84 41.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.063 . . . . 1.0 110.278 -179.928 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.521 ' N ' HD23 ' A' ' 115' ' ' LEU . . . -51.63 133.07 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 1.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -115.65 14.47 16.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 1.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.481 ' NZ ' ' CB ' ' A' ' 81' ' ' HIS . 9.2 pttp -163.19 87.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 1.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.788 ' HG ' ' N ' ' A' ' 70' ' ' MET . 7.8 m -39.3 134.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 1.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -175.18 -173.27 40.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 1.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 1.2 t -119.23 149.3 41.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 0.726 . . . . 1.0 110.472 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.683 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.5 p -40.31 157.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -142.66 -47.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 1.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.26 132.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 109.264 179.95 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.903 HG23 HG22 ' A' ' 153' ' ' VAL . 1.8 mt -103.02 134.84 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 1.0 109.269 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.1 OUTLIER -107.07 -46.12 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 1.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 91' ' ' PHE . 13.0 p -67.65 149.0 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 1.0 109.372 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 142' ' ' SER . 5.6 tt0 -113.36 121.09 43.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 1.0 110.347 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.467 ' HB3' ' CG ' ' A' ' 93' ' ' ARG . 15.8 p -39.28 101.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 1.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.43 -35.68 2.75 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.472 1.107 . . . . 1.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 90' ' ' THR . 1.4 mp0 -58.63 151.53 51.35 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.545 0.791 . . . . 1.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 90' ' ' THR . 18.3 Cg_endo -75.0 162.9 36.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 1.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.613 HG11 ' HB2' ' A' ' 91' ' ' PHE . 6.2 m -128.26 156.97 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 179.929 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.516 ' HA ' HG22 ' A' ' 88' ' ' VAL . 3.9 tt0 -134.78 157.59 46.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.646 ' H ' HG22 ' A' ' 88' ' ' VAL . 27.4 t80 -62.92 124.35 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 1.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.1 t70 81.5 13.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 4.3 tt0 -95.47 142.1 24.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 1.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 150' ' ' GLU . 18.4 Cg_endo -75.07 161.29 38.81 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.476 1.777 . . . . 1.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.483 HD12 HG12 ' A' ' 83' ' ' VAL . 71.5 mt -132.61 -81.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 1.0 109.285 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.903 HG22 HG23 ' A' ' 138' ' ' ILE . 9.6 t -122.6 147.57 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.829 HG13 ' CD1' ' A' ' 82' ' ' ILE . 61.9 t -104.19 130.22 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 1.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.1 mp -114.56 163.85 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 1.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 1.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.9 ttm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.491 0.186 . . . . 1.0 111.026 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.36 -65.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 1.0 110.345 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 41.47 67.24 3.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.56 42.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 1.0 111.069 179.952 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.92 -179.52 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 76' ' ' ALA . . . -140.2 58.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . 69.8 -63.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 1.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.78 171.76 7.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 1.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.594 HD11 ' C ' ' A' ' 156' ' ' GLU . 3.9 tp -127.91 -48.8 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.8 m 45.87 74.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 1.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.435 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -42.42 165.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.145 . . . . 1.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.618 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 4.5 m-70 -116.0 176.19 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 1.0 109.583 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.94 ' CD1' HG13 ' A' ' 154' ' ' VAL . 18.6 mm -142.09 115.76 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 1.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.68 HG21 HD23 ' A' ' 115' ' ' LEU . 58.3 t -86.32 116.33 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.137 . . . . 1.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -116.75 127.33 54.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 1.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.43 105.0 0.44 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.58 8.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.455 1.766 . . . . 1.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.64 118.05 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 1.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.799 HG22 ' H ' ' A' ' 148' ' ' PHE . 15.7 t -52.88 138.54 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 1.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.67 -118.97 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 1.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.479 ' O ' HG13 ' A' ' 118' ' ' VAL . 95.8 m -134.33 164.36 27.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 1.0 110.426 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.807 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.1 t80 -136.08 135.17 39.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.476 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 48.9 m-85 -125.41 155.23 40.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 1.0 111.015 179.927 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 5.8 mmm180 -102.88 -14.76 16.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 1.0 110.249 -179.941 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.999 HG22 ' HA ' ' A' ' 101' ' ' ALA . 64.3 p -134.78 155.89 79.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 1.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.88 18.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 1.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -153.91 178.38 1.63 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 109.977 179.99 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -75.03 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.474 1.776 . . . . 1.0 110.985 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.23 23.7 4.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 1.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.46 160.06 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 109.336 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 165.41 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.999 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -81.62 134.88 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 1.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.993 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 14.8 m-85 -55.98 -40.13 72.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 1.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.57 HG21 ' HA ' ' A' ' 115' ' ' LEU . 1.5 pp -135.6 115.55 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -90.75 114.58 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 1.0 110.235 -179.953 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.412 HG22 HD11 ' A' ' 138' ' ' ILE . 54.8 t -40.09 116.13 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.624 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 109.43 15.39 12.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.383 1.052 . . . . 1.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.57 162.0 17.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 1.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.01 150.78 22.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.107 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 133' ' ' GLY . 27.7 m -130.1 134.6 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 1.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 17.6 t-20 -117.8 146.55 43.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 109.359 -179.959 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.42 -13.13 8.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 1.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.28 137.24 32.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 0.793 . . . . 1.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.483 HG21 ' CE1' ' A' ' 102' ' ' PHE . 9.2 m -66.37 144.9 56.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 1.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.68 HD23 HG21 ' A' ' 83' ' ' VAL . 1.4 tp -111.42 -30.28 7.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.397 1.06 . . . . 1.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.729 ' O ' HD13 ' A' ' 117' ' ' ILE . 1.3 p 172.49 -173.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 1.0 108.279 -179.962 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.993 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 7.0 mm -123.44 159.66 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 1.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 90' ' ' THR . 39.0 t -145.6 120.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -81.32 127.28 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 1.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.512 ' HB3' ' ND2' ' A' ' 125' ' ' ASN . . . -175.46 173.29 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 1.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 21.3 ptp 42.43 46.0 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 1.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.66 51.88 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 1.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.95 163.95 1.83 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 1.172 . . . . 1.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.465 ' CG ' ' O ' ' A' ' 124' ' ' MET . 2.2 ptt? -84.54 122.15 28.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 1.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' A' ' 120' ' ' ALA . 23.1 m-80 -107.92 102.37 11.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.57 ' HG3' HD12 ' A' ' 117' ' ' ILE . 3.1 mp0 -76.33 137.66 39.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 1.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.0 mm -100.5 116.99 45.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.302 -179.933 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -104.08 127.87 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.393 1.058 . . . . 1.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.71 133.13 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 1.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.59 18.37 18.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 1.0 109.314 179.948 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.618 ' CD ' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -178.81 95.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 1.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 3.3 m -39.4 141.62 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 1.0 109.972 -179.975 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.42 ' O ' HG22 ' A' ' 109' ' ' VAL . . . -174.9 -173.1 40.45 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.466 1.104 . . . . 1.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 60.9 p -118.1 144.47 45.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 1.0 110.364 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.624 HG11 ' H ' ' A' ' 106' ' ' GLY . 10.0 p -40.84 159.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 1.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -141.9 -49.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 1.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 171.2 137.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.457 1.098 . . . . 1.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.911 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -99.53 119.23 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 1.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 1.025 HD21 HG23 ' A' ' 154' ' ' VAL . 0.1 OUTLIER -88.23 -43.84 11.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 1.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.648 HG13 ' CE1' ' A' ' 91' ' ' PHE . 14.4 p -80.12 166.71 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.494 ' CB ' ' NE2' ' A' ' 144' ' ' GLN . 0.2 OUTLIER -118.87 171.26 8.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 1.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -80.34 100.8 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 1.0 110.007 179.962 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.476 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 115.63 -32.75 5.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 1.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.494 ' NE2' ' CB ' ' A' ' 141' ' ' GLU . 0.0 OUTLIER -51.21 150.44 5.96 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.488 0.758 . . . . 1.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 165.06 32.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 1.0 111.025 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.807 HG11 ' HB2' ' A' ' 91' ' ' PHE . 33.7 m -142.5 158.13 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.674 ' HA ' HG13 ' A' ' 88' ' ' VAL . 9.0 mt-10 -133.61 165.78 24.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.799 ' H ' HG22 ' A' ' 88' ' ' VAL . 35.5 t80 -63.2 134.13 55.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 1.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 6.9 t70 75.07 3.5 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.078 . . . . 1.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 147' ' ' GLU . 14.2 tp10 -83.81 136.47 41.76 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 1.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.876 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -75.02 151.73 39.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.491 1.785 . . . . 1.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.771 HD13 ' HD2' ' A' ' 91' ' ' PHE . 49.8 mt -121.68 -76.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.911 HG22 HG23 ' A' ' 138' ' ' ILE . 7.3 t -125.41 155.27 34.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 1.025 HG23 HD21 ' A' ' 139' ' ' LEU . 47.9 t -114.06 127.71 71.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 109.348 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 3.7 mp -112.34 163.82 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.594 ' C ' HD11 ' A' ' 78' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 1.0 110.344 -179.991 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.9 mtm . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.5 0.19 . . . . 1.0 111.012 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -40.79 -33.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 110.37 179.965 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 71' ' ' GLU . . . -115.07 91.57 27.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 55.98 4.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.523 1.801 . . . . 1.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.65 93.31 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 1.0 109.29 179.952 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.83 167.43 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 63.09 173.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 65.93 109.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 110.342 -179.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.0 mm 63.9 117.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.558 ' HB3' ' HZ3' ' A' ' 131' ' ' LYS . 20.3 m -134.1 64.84 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 1.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' CA ' ' HA ' ' A' ' 156' ' ' GLU . . . -57.97 -175.54 0.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 1.0 111.063 179.963 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -174.64 162.46 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 1.0 109.681 -179.956 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.949 HD12 HG22 ' A' ' 154' ' ' VAL . 47.7 mm -112.85 115.92 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.859 HG21 HD23 ' A' ' 115' ' ' LEU . 41.2 t -75.82 116.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 1.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 150' ' ' GLU . 22.3 mtt-85 -115.63 127.46 55.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 1.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.411 ' CA ' HD11 ' A' ' 152' ' ' LEU . 0.6 OUTLIER -55.1 108.79 1.27 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 110.0 -179.99 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 0.92 8.36 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.549 1.815 . . . . 1.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.37 127.53 6.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 1.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.647 HG22 ' HA ' ' A' ' 147' ' ' GLU . 23.2 t -56.32 150.75 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.506 ' N ' HG22 ' A' ' 146' ' ' VAL . . . 154.58 -121.29 1.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 1.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 33.0 m -137.25 166.62 23.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 0.72 . . . . 1.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.582 ' CE2' HG11 ' A' ' 140' ' ' VAL . 3.5 t80 -134.93 138.35 43.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 1.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 64.7 m-85 -135.71 149.55 49.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 1.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.431 ' HD3' HG21 ' A' ' 138' ' ' ILE . 22.4 mmm-85 -97.13 -13.79 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 1.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.966 HG22 ' HA ' ' A' ' 101' ' ' ALA . 55.3 p -134.39 155.4 79.81 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 1.0 110.352 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HA ' HD12 ' A' ' 117' ' ' ILE . 18.4 Cg_endo -75.01 -26.94 10.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.436 1.756 . . . . 1.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -143.04 178.59 1.42 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 1.0 109.938 -179.957 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.4 Cg_endo -74.94 -47.95 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.396 1.735 . . . . 1.0 111.048 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -99.4 40.66 1.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 1.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -120.51 150.9 40.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 1.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -57.93 171.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 1.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.966 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -95.11 134.56 37.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 1.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.702 ' CE1' HG21 ' A' ' 114' ' ' THR . 16.5 m-85 -56.75 -39.75 74.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.453 1.095 . . . . 1.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.834 HD11 HG11 ' A' ' 109' ' ' VAL . 6.2 mt -136.59 108.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 109.24 -179.945 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' VAL . 7.4 mt-10 -89.42 115.57 26.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 1.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 138' ' ' ILE . 55.3 t -39.59 115.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 1.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.53 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.65 16.16 8.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.575 1.172 . . . . 1.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -121.64 171.12 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 1.0 110.279 -179.946 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -113.53 159.69 19.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 1.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 103' ' ' ILE . 26.8 m -139.42 150.6 22.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 109.257 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.447 ' HA ' ' CB ' ' A' ' 132' ' ' SER . 7.2 p30 -126.63 145.88 50.39 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 1.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.48 109.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 1.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.32 -22.29 7.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 1.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 133.68 36.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.788 . . . . 1.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.704 HG23 ' HG3' ' A' ' 126' ' ' GLN . 31.4 m -56.63 142.95 37.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 1.0 110.431 179.951 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.977 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.1 tp -112.52 -31.62 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 1.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.528 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.2 p 175.36 -172.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 1.0 108.313 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.434 HD11 ' CE2' ' A' ' 102' ' ' PHE . 4.2 mt -121.09 158.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.471 HG23 HG13 ' A' ' 127' ' ' ILE . 43.2 t -139.14 121.51 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 1.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 2.9 tt0 -85.07 128.13 34.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 110.279 179.966 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.504 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -169.01 166.22 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.504 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 6.6 ptp 42.72 44.03 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.81 51.83 6.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 1.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.13 153.67 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.63 138.76 41.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 1.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -132.58 96.87 3.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.704 ' HG3' HG23 ' A' ' 114' ' ' THR . 29.0 tt0 -63.85 152.38 39.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 1.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.471 HG13 HG23 ' A' ' 118' ' ' VAL . 3.7 mm -116.67 115.83 50.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 1.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.07 125.63 36.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 1.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.977 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -52.94 133.0 38.22 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.544 1.153 . . . . 1.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.531 ' HA ' HG23 ' A' ' 111' ' ' VAL . 8.5 t70 -120.95 24.94 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 1.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.558 ' HZ3' ' HB3' ' A' ' 79' ' ' SER . 5.3 tttm -169.08 83.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.447 ' CB ' ' HA ' ' A' ' 110' ' ' ASN . 53.5 p -39.3 144.69 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 109.962 179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.495 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 170.8 -177.9 43.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 1.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 135' ' ' VAL . 88.3 m -107.55 174.91 5.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 0.724 . . . . 1.0 110.451 179.991 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.53 HG11 ' H ' ' A' ' 106' ' ' GLY . 8.5 p -70.16 140.1 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.722 ' HB3' HG12 ' A' ' 154' ' ' VAL . 4.4 tttt -121.99 -42.84 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 1.0 109.217 -179.928 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 164.63 136.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.931 HG23 HG22 ' A' ' 153' ' ' VAL . 0.3 OUTLIER -103.03 132.55 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.64 HD12 ' HB2' ' A' ' 151' ' ' PRO . 0.2 OUTLIER -101.78 -46.16 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.582 HG11 ' CE2' ' A' ' 91' ' ' PHE . 14.5 p -70.29 152.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 143' ' ' GLY . 32.6 tt0 -114.93 137.88 51.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 t -48.24 95.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 1.0 109.984 -179.95 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.529 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 127.8 -32.0 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.581 1.175 . . . . 1.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.439 ' CG ' ' HD2' ' A' ' 145' ' ' PRO . 0.0 OUTLIER -53.27 150.24 11.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 1.0 110.303 -179.947 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 144' ' ' GLN . 18.1 Cg_endo -75.1 168.46 24.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 1.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 88' ' ' VAL . 1.5 m -134.29 160.18 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.647 ' HA ' HG22 ' A' ' 88' ' ' VAL . 14.6 mt-10 -144.4 160.34 41.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.407 1.067 . . . . 1.0 110.324 -179.965 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.574 ' H ' HG22 ' A' ' 88' ' ' VAL . 28.1 t80 -64.33 125.35 24.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.585 1.178 . . . . 1.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 20.4 t0 80.06 11.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 151' ' ' PRO . 3.8 tt0 -92.6 143.69 27.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 1.0 110.36 179.972 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.64 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -75.03 163.94 34.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.554 1.818 . . . . 1.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.514 HD22 ' CD2' ' A' ' 91' ' ' PHE . 83.5 mt -136.53 -80.6 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 1.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.931 HG22 HG23 ' A' ' 138' ' ' ILE . 14.5 t -125.51 145.99 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 1.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.949 HG22 HD12 ' A' ' 82' ' ' ILE . 95.8 t -102.78 122.22 54.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.639 ' CD1' HD21 ' A' ' 115' ' ' LEU . 1.4 mp -109.61 155.59 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.469 ' HB3' ' CG ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 1.0 110.342 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.5 ptm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.517 0.198 . . . . 1.0 111.029 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.84 150.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.851 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . . . -65.61 -54.53 29.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.851 ' HD3' ' HB3' ' A' ' 72' ' ' ALA . 18.1 Cg_endo -75.07 58.25 4.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.777 . . . . 1.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 63.77 176.46 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 1.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.46 99.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 1.0 109.211 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.55 92.56 2.4 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.127 . . . . 1.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 78' ' ' ILE . 3.7 tp10 66.24 142.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 1.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 79' ' ' SER . 1.7 pp -138.92 -53.35 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 1.0 109.328 -179.935 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' ILE . 2.9 p 160.26 96.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 1.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.61 117.76 0.04 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.511 1.132 . . . . 1.0 111.05 -179.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.41 ' CG ' ' N ' ' A' ' 82' ' ' ILE . 24.7 t60 -121.97 161.91 22.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 1.0 109.604 -179.971 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.41 ' N ' ' CG ' ' A' ' 81' ' ' HIS . 4.4 mp -136.93 123.78 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 1.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.77 HG12 HD12 ' A' ' 152' ' ' LEU . 87.4 t -86.08 116.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 1.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 86' ' ' PRO . 6.8 mtt-85 -106.69 111.57 24.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 1.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.932 ' HB2' HD21 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -38.68 99.28 0.19 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.564 1.165 . . . . 1.0 110.02 179.968 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' ARG . 18.0 Cg_endo -75.0 0.21 9.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.422 1.749 . . . . 1.0 111.029 -179.953 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.78 114.73 5.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 1.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.928 HG13 ' HA ' ' A' ' 147' ' ' GLU . 5.8 t -59.32 139.32 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 1.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.71 -120.51 0.98 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 1.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 143' ' ' GLY . 50.5 m -126.05 167.54 15.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 0.722 . . . . 1.0 110.356 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.704 ' HB2' HG11 ' A' ' 146' ' ' VAL . 3.2 t80 -138.09 132.32 31.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 1.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.515 ' CE1' ' HA2' ' A' ' 143' ' ' GLY . 65.1 m-85 -125.36 151.61 45.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.13 . . . . 1.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.781 HH21 ' HB3' ' A' ' 116' ' ' CYS . 0.9 OUTLIER -101.51 -14.18 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.398 1.061 . . . . 1.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.887 HG22 ' HA ' ' A' ' 101' ' ' ALA . 44.0 p -130.11 155.48 80.68 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.26 3.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.54 1.81 . . . . 1.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.451 ' CB ' ' CD ' ' A' ' 97' ' ' PRO . 0.1 OUTLIER -127.57 175.47 3.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 1.0 109.989 -179.976 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 96' ' ' SER . 18.3 Cg_endo -75.03 -32.04 5.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 1.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -118.01 55.27 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.73 143.05 43.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 1.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 171.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 1.0 109.235 -179.903 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.887 ' HA ' HG22 ' A' ' 94' ' ' THR . . . -89.08 133.03 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.947 ' CE1' HG21 ' A' ' 114' ' ' THR . 7.1 m-85 -47.26 -43.09 21.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 1.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 tt -134.48 112.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 105' ' ' VAL . 41.9 tt0 -86.22 117.68 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 1.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.575 HG22 HD11 ' A' ' 138' ' ' ILE . 89.4 t -40.32 116.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 1.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.609 ' H ' HG11 ' A' ' 135' ' ' VAL . . . 113.72 11.36 12.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 1.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -118.12 169.53 9.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 1.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 109' ' ' VAL . 54.5 tttt -109.48 167.54 10.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.095 . . . . 1.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 133' ' ' GLY . 12.6 m -141.82 135.8 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 1.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -116.26 142.92 46.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 111' ' ' VAL . 2.6 p -40.36 109.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 1.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.31 -17.87 6.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 1.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.87 143.83 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 1.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.947 HG21 ' CE1' ' A' ' 102' ' ' PHE . 68.9 m -64.9 152.38 43.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 1.0 110.414 -179.969 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.728 HD13 ' HB2' ' A' ' 129' ' ' ALA . 1.8 tp -117.74 -40.27 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 1.0 109.314 -179.922 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.781 ' HB3' HH21 ' A' ' 93' ' ' ARG . 13.9 p -178.63 -166.05 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 1.0 108.284 179.952 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.446 HG21 ' CG ' ' A' ' 124' ' ' MET . 4.4 mt -137.16 156.49 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 1.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.496 ' CG2' HD11 ' A' ' 127' ' ' ILE . 17.6 t -138.1 132.64 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 1.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -95.41 132.28 40.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 1.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 121' ' ' MET . . . -171.84 167.1 6.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 1.0 109.285 179.924 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.5 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 24.6 ptm 42.82 44.15 3.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 1.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? 43.48 51.83 6.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 1.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.2 mtm -171.06 155.74 4.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 1.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.446 ' CG ' HG21 ' A' ' 117' ' ' ILE . 4.5 ttm -84.33 141.29 31.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -135.54 103.25 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -73.77 156.02 38.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 1.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.496 HD11 ' CG2' ' A' ' 118' ' ' VAL . 2.3 mt -119.1 116.37 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 1.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.78 121.03 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 1.0 110.226 -179.956 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.728 ' HB2' HD13 ' A' ' 115' ' ' LEU . . . -40.42 133.0 1.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.28 14.38 9.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.413 ' HE2' ' CG1' ' A' ' 78' ' ' ILE . 0.5 OUTLIER -161.34 82.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 1.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 131' ' ' LYS . 49.2 p -39.19 138.76 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.474 ' O ' HG22 ' A' ' 109' ' ' VAL . . . 178.25 -173.26 45.75 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 124.479 1.112 . . . . 1.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 18.5 m -116.57 151.14 36.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 0.785 . . . . 1.0 110.447 180.0 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.609 HG11 ' H ' ' A' ' 106' ' ' GLY . 9.7 p -41.87 162.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 1.0 109.371 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -146.22 -48.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 136' ' ' LYS . . . 172.65 133.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 1.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 153' ' ' VAL . 0.4 OUTLIER -102.73 129.8 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 1.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.66 HD21 HG23 ' A' ' 154' ' ' VAL . 0.2 OUTLIER -97.38 -45.64 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.069 . . . . 1.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.597 HG21 ' HB3' ' A' ' 91' ' ' PHE . 7.9 p -91.02 140.57 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.416 ' HG2' ' NE2' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -97.12 -179.1 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 1.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.3 t -77.09 97.54 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.515 ' HA2' ' CE1' ' A' ' 92' ' ' TYR . . . 125.02 -35.44 3.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 1.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.416 ' NE2' ' HG2' ' A' ' 141' ' ' GLU . 15.6 mt-30 -47.77 150.55 1.84 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 1.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . 0.538 ' O ' HG13 ' A' ' 146' ' ' VAL . 18.3 Cg_endo -75.01 178.27 7.49 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.446 1.761 . . . . 1.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.704 HG11 ' HB2' ' A' ' 91' ' ' PHE . 13.7 m -155.84 158.94 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 1.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.928 ' HA ' HG13 ' A' ' 88' ' ' VAL . 3.0 pt-20 -145.82 162.34 37.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.76 ' H ' HG22 ' A' ' 88' ' ' VAL . 9.7 t80 -62.47 135.16 57.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 148' ' ' PHE . 0.0 OUTLIER 83.12 -6.63 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 109.35 -179.938 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 147' ' ' GLU . 0.9 OUTLIER -89.22 133.24 35.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 1.0 110.273 179.969 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.458 ' HB2' HD12 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.97 156.75 43.13 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.41 1.742 . . . . 1.0 111.002 179.927 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.932 HD21 ' HB2' ' A' ' 85' ' ' SER . 15.9 mt -117.16 -75.02 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 138' ' ' ILE . 9.1 t -127.69 141.84 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.66 HG23 HD21 ' A' ' 139' ' ' LEU . 44.4 t -99.51 123.56 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 1.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 156' ' ' GLU . 1.9 mt -107.72 163.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 1.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.503 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 66.4 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 1.0 110.356 179.959 . . . . . . . . 1 1 . 1 stop_ save_