data_2lon_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 2lon _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 18' ' ' SER . 17.2 t -82.1 -88.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.433 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 19.8 m 59.97 171.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.35 -26.06 7.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -56.39 -68.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.5 OUTLIER -64.39 -21.07 66.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.29 -52.23 66.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -27.3 47.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -46.73 83.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 21' ' ' LEU . 68.6 p -53.33 -172.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -169.97 -86.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 28' ' ' SER . 4.7 pt-20 179.99 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -39.08 156.63 0.13 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.13 7.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -97.13 -19.68 18.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.59 -50.16 52.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.6 Cg_endo -74.92 -74.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.77 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' PRO . 38.6 mt -39.12 -46.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -60.43 -61.25 7.29 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 tp -40.83 -59.08 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.6 -60.33 5.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.12 -19.76 25.09 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -45.96 35.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 4.3 tp -62.67 -41.18 98.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -67.79 -58.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' ALA . 11.2 t -52.81 -70.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -40.39 -53.32 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 39' ' ' LEU . . . -46.79 -61.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CD2' ' HB3' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -53.17 -31.07 40.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -66.43 -65.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 pt -49.77 -30.98 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -65.17 -58.78 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -57.3 -46.46 83.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -55.67 -52.05 65.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.41 -32.28 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.77 -49.7 36.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.4 91.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.65 -44.92 88.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . . . -65.92 -28.66 69.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -59.31 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.95 -66.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -47.51 -58.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.02 -44.7 9.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.51 -56.15 25.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.5 mt -57.07 -69.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.32 -67.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 79' ' ' GLY . 5.3 tt -42.65 -63.78 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.76 -60.32 1.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.59 -62.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' MET . 56.3 t -40.49 -68.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -37.76 -58.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.8 m -47.29 -41.49 19.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' VAL . 18.9 mmt -73.27 -68.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -36.88 -44.51 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.14 -50.52 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.51 -26.96 3.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -38.66 -34.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.412 ' CA ' ' HB3' ' A' ' 21' ' ' LEU . 22.1 m -132.96 -48.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t 57.55 177.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.07 -21.32 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.06 -70.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' HB3' ' CA ' ' A' ' 17' ' ' VAL . 4.8 tt -56.72 -39.9 74.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.64 -63.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -55.43 -31.97 62.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -56.44 -58.41 8.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -114.0 113.01 24.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 176.87 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.48 -65.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.11 169.82 17.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.59 30.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' CD2' ' C ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -96.16 -19.47 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.92 -51.12 41.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -40.28 -41.36 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.85 -56.0 14.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -46.72 -61.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.35 -62.84 4.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.49 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -51.83 -20.17 5.81 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -69.62 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.33 -40.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.68 -52.79 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 15.5 t -53.9 -68.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.62 -51.28 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.17 -64.31 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -49.94 -60.09 3.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -65.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.0 mt -43.01 -58.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -41.52 -48.53 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -59.29 -47.12 86.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.55 -60.29 3.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.8 t -45.79 -61.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.06 -45.95 43.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.54 -47.62 69.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -59.33 5.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.51 -27.84 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.92 -51.45 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.67 -68.28 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.4 m -50.37 -43.08 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.68 -33.84 84.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.0 -65.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -47.63 -44.54 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' ALA . 6.3 mtt -61.46 -59.61 4.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -40.94 -45.67 2.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.19 -40.92 95.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -62.66 -64.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.9 m -49.75 -38.46 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 78' ' ' LEU . 1.8 m-85 -58.59 -57.82 11.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.0 m -55.13 -39.02 68.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -69.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -53.23 -19.87 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 m -80.12 -70.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.7 -19.67 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -54.47 -19.77 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.401 ' O ' ' CB ' ' A' ' 21' ' ' LEU . 72.3 t -116.85 -84.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t 59.77 170.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -21.25 61.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -65.63 -59.9 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 1.3 tm? -63.67 -40.18 96.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -48.47 70.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -64.05 -47.14 81.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.75 -43.27 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.3 m -67.0 161.28 24.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLU . 2.6 ttp180 -176.32 83.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 44.84 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.78 147.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.6 OUTLIER -100.0 -19.33 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -44.91 -50.06 26.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.03 -75.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.543 1.812 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' PRO . 43.6 mm -38.39 -51.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -60.62 -48.77 84.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 4.6 tp -47.61 -61.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.71 -62.38 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' CG1' ' A' ' 41' ' ' VAL . . . -52.48 -19.65 6.47 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 4.2 t -78.32 -44.7 24.52 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -65.05 -30.38 71.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.1 t -78.42 -65.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.403 ' CG1' ' O ' ' A' ' 37' ' ' GLY . 7.3 p -48.3 -42.68 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -69.33 -42.43 75.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 39' ' ' LEU . . . -54.37 -45.47 72.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -66.5 -44.88 81.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -54.1 47.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 mt -55.53 -56.51 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -42.28 -47.84 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -57.63 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.48 -57.95 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.3 -70.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.61 -40.81 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.94 -51.64 69.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.24 -64.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -46.79 -30.1 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.62 -49.04 62.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 108.315 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.25 -69.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 70' ' ' ALA . 16.4 m -48.34 -32.92 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.36 -58.48 8.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.9 -58.25 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 77' ' ' MET . 8.3 tp -51.62 -50.67 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.404 ' N ' HG22 ' A' ' 76' ' ' ILE . 1.2 mtp -51.45 -45.0 62.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -61.57 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.86 -59.91 6.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.6 -68.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t -39.89 -70.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 86' ' ' SER . 3.6 t80 -37.45 -50.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.6 m -55.35 -49.69 71.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -70.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -43.19 -38.51 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.486 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 73.2 m -71.83 -44.23 64.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -53.46 -46.99 70.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -29.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 86' ' ' SER . 72.6 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 11.6 p . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 16' ' ' CYS . 79.4 t -155.09 -69.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m 61.29 171.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.029 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.25 -22.8 4.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -60.43 -69.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -24.96 68.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -68.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -40.07 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -44.51 -64.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -85.08 108.84 17.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -75.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.3 -80.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER 53.11 178.62 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 133.69 16.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.553 1.817 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.9 pp -95.5 -19.91 19.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.53 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.65 -51.05 73.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.5 Cg_endo -75.02 -71.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.3 mt -42.85 -35.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . -70.79 -48.55 33.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -47.84 79.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.27 -69.89 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.77 -19.85 5.37 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.5 t -75.29 -46.32 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -37.24 86.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.03 -70.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 9.5 p -47.14 -53.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 41' ' ' VAL . . . -44.59 -54.39 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.82 -56.42 12.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -50.5 -37.88 41.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -67.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mt -44.53 -57.23 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -43.34 -56.55 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -56.24 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -60.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.3 mtm-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.1 t -49.86 -49.41 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.78 78.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.2 -60.76 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -50.33 -59.18 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -49.55 -28.97 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -49.79 55.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.57 -69.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 70' ' ' ALA . 21.2 m -48.89 -32.56 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.03 -69.78 1.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.18 -43.27 1.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.776 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.8 mm -58.99 -68.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.2 mmm -46.34 -60.44 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.444 ' CD1' HG22 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.99 -51.94 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.72 -43.88 91.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -61.41 -64.65 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.76 -37.6 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.18 -45.16 95.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -61.7 -47.73 83.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.0 mtm -66.78 -70.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.436 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 38.8 t80 -39.88 -46.74 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.3 t -68.14 -45.77 72.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' VAL . 11.2 t0 -53.07 -27.17 18.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 78.4 t80 -37.49 -33.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 21' ' ' LEU . 70.8 t -122.71 -48.85 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 t 53.49 173.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.91 -20.04 65.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -65.39 -63.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.4 OUTLIER -62.13 -42.06 98.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -48.96 -59.64 3.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -39.71 82.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -46.74 -56.73 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 m -157.98 134.6 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -178.37 81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.59 169.56 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.38 166.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.957 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.03 32.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -99.17 -19.73 17.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.527 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.58 -50.87 63.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' PRO . 22.8 mm -39.99 -37.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -66.76 -54.24 23.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -47.52 -48.8 27.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.73 -67.5 2.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.497 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -51.18 -19.88 4.29 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.9 t -73.14 -70.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 tt -41.81 -46.0 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.44 -51.56 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 24.6 t -56.6 -67.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.426 ' HA ' ' CD ' ' A' ' 45' ' ' ARG . . . -39.94 -37.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.17 -54.03 35.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.497 ' CE1' ' HB3' ' A' ' 70' ' ' ALA . 34.0 t80 -53.06 -61.57 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' CD ' ' HA ' ' A' ' 42' ' ' ALA . 13.6 ptt180 -51.76 -38.44 55.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.419 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 4.2 mm -62.77 -71.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -37.74 -44.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 ttp85 -62.34 -58.94 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 tp -50.68 -63.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.0 t -61.77 -69.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.73 -56.57 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.83 -67.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -46.4 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.497 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . . . -41.06 -31.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -69.6 -55.57 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -60.21 -66.92 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 70' ' ' ALA . 11.4 m -50.59 -33.82 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -62.6 -47.65 87.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.7 -56.97 14.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.71 -68.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' LEU . 6.5 ttm -45.09 -64.09 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 28.1 tp -40.33 -66.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.34 -50.19 2.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.19 -66.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 84' ' ' MET . 58.7 t -40.51 -70.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -38.5 -60.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.9 m -46.41 -39.32 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 81' ' ' VAL . 5.3 tpp -73.0 -67.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -36.99 -39.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -79.7 -58.93 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.035 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -42.08 -28.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.443 ' N ' ' C ' ' A' ' 86' ' ' SER . 8.3 t80 -35.77 -37.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 21' ' ' LEU . 2.9 p -150.61 -58.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p 49.23 -174.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.26 -21.41 66.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -60.6 -69.43 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -61.55 -46.86 88.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tp -45.12 -68.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -46.5 44.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -42.74 -52.56 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -149.04 125.95 11.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 1.5 ptt180 -179.68 72.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -176.22 170.8 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.24 169.15 0.11 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.45 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.0 146.85 33.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -99.43 -19.92 16.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -52.3 -50.12 81.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.02 -70.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.1 mt -43.85 -32.19 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -71.79 -52.93 10.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -51.21 -47.6 62.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.19 -69.64 1.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.0 -24.03 1.27 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . 49.6 t -72.61 -67.87 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' CYS . 0.4 OUTLIER -40.41 -40.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.476 HG11 ' CE2' ' A' ' 44' ' ' TYR . 77.1 t -68.94 -57.14 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.4 t -48.84 -66.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.95 -54.59 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.73 -60.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.476 ' CE2' HG11 ' A' ' 40' ' ' VAL . 18.9 m-85 -55.87 -48.96 74.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -49.03 -65.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.0 mt -46.62 -62.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -38.43 -50.87 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -54.45 44.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.26 -65.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' CB ' ' A' ' 68' ' ' ALA . 5.5 mmt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.6 t -50.86 -40.29 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.24 -44.88 86.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' CB ' ' HB2' ' A' ' 65' ' ' ARG . . . -57.24 -68.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -49.65 -32.94 14.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.93 -34.76 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.77 -56.26 7.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -69.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -49.1 -61.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.37 -65.75 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.99 -55.66 2.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.2 mt -54.15 -69.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -38.68 -68.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' MET . 1.1 mp -39.85 -46.32 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.38 -69.66 1.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.84 -60.88 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.7 t -40.75 -66.05 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -37.92 -57.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -48.59 -64.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' ASP . 2.5 mmt -52.79 -70.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.453 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 2.6 t80 -36.84 -62.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -39.9 60.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 84' ' ' MET . 3.8 t70 -55.13 -42.2 72.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.453 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 42.6 t80 -37.68 -33.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -159.46 -46.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.12 172.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -28.07 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -55.1 -59.42 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.38 -42.85 74.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -43.21 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -80.01 -55.58 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.4 -64.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.7 p -38.63 106.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -60.07 -173.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.168 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -109.75 41.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.61 170.83 4.95 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 158.43 42.21 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.543 ' CD2' ' C ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -99.51 -19.53 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.51 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -50.76 -51.59 64.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 -68.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.5 mm -42.24 -42.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -69.15 -43.51 71.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -56.1 20.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.69 -61.84 7.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -20.12 7.34 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.2 m -78.94 -45.07 21.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -31.77 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.3 t -75.12 -70.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 8.1 p -44.79 -49.41 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -56.01 -62.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.81 -49.31 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -44.95 96.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -55.01 -52.83 61.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mt -53.73 -55.25 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -45.69 -46.38 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -54.54 42.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.93 -53.71 5.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.53 -33.27 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.22 -52.01 46.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.76 -56.85 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -46.8 -52.64 13.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.39 -25.89 68.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.78 -51.35 65.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.47 -69.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.7 t -41.13 -46.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.45 -45.49 90.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.17 -55.49 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.335 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.5 mt -59.43 -66.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.493 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -38.56 -34.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.01 -62.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.91 -54.91 26.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.7 -65.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 77' ' ' MET . 25.5 t -41.15 -57.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.36 -59.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -27.54 65.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -71.9 -70.05 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -56.57 -22.38 33.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.1 t -78.19 -66.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.71 -28.63 49.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -50.37 -23.49 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -144.43 -49.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.24 176.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -57.51 -26.87 61.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -57.55 -69.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -32.95 66.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -65.96 -24.23 66.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -60.96 -69.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -56.11 110.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 -59.96 179.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.59 61.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -115.29 178.58 0.94 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.95 147.67 34.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.4 pp -99.26 -19.93 16.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.524 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -50.15 -51.6 61.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.1 Cg_endo -75.01 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.5 mt -40.66 -35.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.72 -46.28 31.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -54.2 -50.12 67.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.48 -65.63 2.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.45 -21.58 3.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . 13.4 t -75.2 -68.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' CYS . 1.9 mp -40.33 -39.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.76 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ALA . 32.1 t -49.33 -65.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -40.09 -57.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.87 -63.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.81 -53.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -57.19 -63.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.8 mt -42.63 -64.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -41.22 -46.86 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -50.87 68.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -51.25 70.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 m -46.65 -45.65 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.55 -59.08 5.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.16 -55.07 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -64.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.53 -31.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -55.5 7.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.32 -68.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.3 t -49.66 -50.04 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -50.49 -42.62 43.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.08 -69.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.8 mm -42.15 -68.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' LEU . 2.8 tpt -41.93 -64.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 7.7 tp -40.53 -66.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.82 -48.57 1.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.82 -57.1 14.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' MET . 79.4 t -48.11 -68.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -37.74 -53.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -50.59 -45.83 57.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' VAL . 8.8 mtt -71.5 -69.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -37.68 -37.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.3 t -77.89 -49.77 13.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -49.92 -26.69 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' ASP . 31.7 t80 -37.58 -39.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.2 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.419 ' CG1' ' HG ' ' A' ' 22' ' ' LEU . 24.7 t -147.52 -74.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.39 178.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -19.82 52.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -62.98 -70.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -45.14 84.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' HG ' ' CG1' ' A' ' 17' ' ' VAL . 3.6 mt -50.99 -69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -42.21 -50.52 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -57.45 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -130.79 124.08 30.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.76 73.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.63 160.77 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.67 165.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.05 41.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -96.41 -19.85 18.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.561 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.74 -49.34 73.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.0 -75.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -40.49 -31.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -73.59 -48.79 16.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -55.52 -51.79 65.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.17 -65.5 3.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.502 ' O ' ' CG1' ' A' ' 41' ' ' VAL . . . -52.22 -19.69 6.05 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.7 m -76.1 -49.02 18.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -64.61 -25.76 68.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.2 t -74.3 -69.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 37' ' ' GLY . 3.9 p -51.63 -40.37 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -65.8 -45.96 80.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 39' ' ' LEU . . . -51.22 -47.67 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -63.71 -47.19 82.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -53.1 -57.49 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.38 -63.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.15 -53.0 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -50.54 -55.89 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -65.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.9 t -48.74 -62.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.98 -61.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.65 -57.79 2.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -49.37 -62.69 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.3 -29.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -57.69 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.97 -68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -50.24 -59.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -41.38 -45.44 4.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 -61.36 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -50.42 -70.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 ttt -40.48 -60.11 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -44.44 -65.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.53 -53.28 1.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.31 78.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 78' ' ' LEU . 70.2 t -54.46 -61.94 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -44.13 -45.36 8.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -56.1 -52.31 64.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -70.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -36.77 -53.4 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.1 t -59.66 -50.32 74.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -48.42 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -38.96 -43.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.0 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.0 t -134.82 -78.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.5 m 62.58 170.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -53.11 -23.78 8.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -61.59 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.15 -44.67 87.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.37 -51.2 4.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -52.5 22.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.63 -67.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.5 m -39.82 101.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -179.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -78.7 -177.01 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.482 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER 79.59 176.88 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.04 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -100.09 -19.48 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.553 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.48 -49.7 43.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.04 -70.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' PRO . 47.3 mt -39.76 -37.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -69.43 -51.2 27.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.32 -50.67 38.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.91 -64.95 3.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.91 -19.71 5.49 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.68 -66.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -52.95 -23.69 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.8 t -73.32 -70.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 12.6 p -50.51 -54.09 10.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 41' ' ' VAL . . . -50.65 -58.76 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' LEU . . . -40.73 -48.53 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.5 -47.16 82.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.61 -52.21 14.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -67.74 -35.46 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.402 ' N ' HG21 ' A' ' 46' ' ' ILE . 4.0 t80 -58.01 -42.45 85.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -77.14 -51.38 11.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.4 -49.74 3.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.2 m -60.55 -52.12 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.16 -50.18 64.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.58 13.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.436 ' C ' ' N ' ' A' ' 71' ' ' CYS . 3.3 mt-30 -61.74 -66.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -40.11 -30.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -70.15 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.302 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.05 -64.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.491 ' O ' ' CG ' ' A' ' 77' ' ' MET . 16.4 m -52.97 -33.3 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.36 -32.02 78.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.65 -55.77 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.416 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -59.58 -35.34 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 73' ' ' VAL . 4.5 mmt -72.5 -66.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.474 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 1.4 tm? -39.72 -42.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' TYR . . . -66.66 -58.78 7.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -44.04 -51.63 7.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 12.0 p -62.91 -35.93 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.8 t80 -53.29 -59.64 4.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -62.7 -37.11 85.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -70.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.423 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 87.1 t80 -54.61 -31.19 56.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -64.85 -70.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.6 -24.12 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.423 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 2.3 t80 -40.92 -30.98 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.348 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.4 t -100.8 -82.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 177.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.028 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -54.89 -27.27 41.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -59.29 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -52.31 53.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.9 mt -40.41 -36.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -79.75 -57.11 3.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.27 -62.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 t -54.39 -168.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.99 -176.87 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 28' ' ' SER . 14.1 pt-20 -67.84 -50.53 56.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' ' CG ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -41.52 162.27 0.13 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 pp -95.66 -19.63 19.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -42.24 -51.19 11.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -53.25 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.0 mt -46.39 -40.95 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.12 -43.64 32.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.91 -55.98 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.47 -63.36 4.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.499 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -46.57 -23.97 1.56 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.3 t -77.32 -61.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.94 -55.05 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 9.2 p -59.3 -54.96 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 2.4 t -44.14 -69.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.26 -37.07 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 40' ' ' VAL . . . -52.83 -57.22 10.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -64.08 -42.35 96.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.2 -46.0 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.14 -61.61 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -45.73 82.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.95 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 m -40.64 -50.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.46 -59.73 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -42.39 -66.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 71' ' ' CYS . 51.9 tt0 -45.3 -68.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -70.05 -70.2 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.81 -62.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 75' ' ' ALA . 41.9 t -50.58 -66.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.366 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -42.23 -27.23 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 73' ' ' VAL . . . -73.92 -70.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -48.37 -53.58 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.7 ttm -53.56 -60.21 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.8 OUTLIER -40.5 -63.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.57 -65.11 2.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' GLY . . . -40.32 -69.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 84' ' ' MET . 69.1 t -39.97 -62.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 81' ' ' VAL . 4.2 t80 -37.27 -60.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.9 m -50.94 -43.27 60.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -64.35 -70.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.445 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 4.6 t80 -41.97 -58.86 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -49.25 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.35 -46.62 72.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.445 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 4.0 t80 -37.79 -34.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 t -120.04 -70.15 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.92 171.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -53.31 -21.03 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -60.17 -69.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -46.18 90.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.7 -54.23 2.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -45.35 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.07 -66.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -39.49 106.41 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -178.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.36 -168.13 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.56 166.04 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.03 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.1 tt -100.09 -18.71 16.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -45.25 -49.37 32.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.07 -81.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' PRO . 14.0 pt -36.29 -38.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -66.55 -53.59 27.5 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.0 -50.21 37.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.75 -66.43 2.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -19.44 6.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 11.1 t -74.16 -49.62 22.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -34.23 76.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 88.0 t -74.47 -69.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -44.08 -43.23 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -67.31 -39.77 85.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' VAL . . . -58.02 -41.55 83.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -70.57 -38.76 74.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -61.54 -46.57 89.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.5 mm -63.38 -57.0 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.78 -42.82 26.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -57.54 9.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.99 -57.25 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -48.45 -62.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.67 -62.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -43.43 -63.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ALA . 2.1 mt-30 -44.11 -66.91 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -43.56 -31.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -68.04 -50.88 52.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -65.86 -69.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 70' ' ' ALA . 14.2 m -47.31 -33.43 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.08 -35.12 64.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -66.84 -53.11 35.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.766 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -51.92 67.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.3 mtt -57.12 -67.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.1 tt -40.31 -64.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.4 -59.39 1.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' VAL . . . -52.71 -62.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 0.743 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' MET . 53.7 t -40.16 -67.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -39.06 -56.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -55.42 -38.39 68.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -66.02 -59.17 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -59.03 -24.62 62.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.7 m -79.42 -70.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -51.6 -27.24 10.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' VAL . 4.7 t80 -46.78 -37.45 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' TYR . 51.9 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.71 -47.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.9 p 53.79 173.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -20.41 9.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -62.95 -69.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -30.11 71.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.89 -55.86 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -46.87 73.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -43.97 -58.51 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -39.01 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -56.94 -177.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.08 50.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.59 168.58 7.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.96 42.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLY . 4.7 tp -100.07 -19.8 16.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.531 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.87 -51.16 63.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -74.98 -73.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.4 mm -41.15 -33.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.09 -49.3 22.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -54.49 -53.68 51.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.16 -65.52 3.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.475 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -51.87 -19.83 5.54 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.9 m -78.51 -42.77 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.47 -30.29 70.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.25 -63.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 30.4 m -52.13 -42.27 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -65.76 -41.08 92.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.63 -55.15 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -58.49 -39.17 79.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -57.27 -59.63 4.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -28.83 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -59.44 -61.94 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -42.11 98.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.69 -66.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 8.9 mtp-105 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.0 -60.27 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.34 79.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.64 -60.44 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -53.7 -61.01 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.25 -25.0 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.416 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -74.77 -50.21 18.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.08 -60.16 3.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.19 -58.44 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.97 -34.67 16.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 71' ' ' CYS . . . -66.54 -70.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.0 tp -41.91 -45.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttt -59.5 -60.24 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.466 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.6 tp -40.39 -56.2 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.54 -44.41 78.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.26 -64.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 78' ' ' LEU . 25.9 m -48.26 -28.99 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.472 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -66.33 -55.54 15.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.0 p -58.05 -32.29 67.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -70.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -52.16 -28.53 18.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 73.1 m -77.33 -64.83 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' TYR . 4.3 t70 -45.91 -25.91 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.417 ' N ' ' C ' ' A' ' 86' ' ' SER . 1.7 t80 -36.94 -38.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 p -141.26 -55.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.37 -176.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.03 -21.13 66.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.76 -68.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.14 -40.54 96.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD23 ' CD ' ' A' ' 26' ' ' ARG . 1.3 tm? -48.56 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -41.05 61.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 -62.17 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m -135.65 130.45 34.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.424 ' CD ' HD23 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -179.4 164.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 66.45 174.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.75 165.27 0.13 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.5 Cg_endo -74.99 135.83 19.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.99 -20.61 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.527 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.47 -51.44 69.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -74.98 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.6 mt -47.66 -53.62 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.03 -42.35 98.22 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.95 -53.73 30.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 38' ' ' CYS . . . -70.8 -64.79 2.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.488 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -40.94 -28.45 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' N ' ' C ' ' A' ' 36' ' ' GLY . 49.8 t -79.68 -56.38 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.05 -48.28 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.415 ' CG2' ' N ' ' A' ' 41' ' ' VAL . 32.2 m -68.55 -53.78 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 3.0 t -43.46 -70.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 45' ' ' ARG . . . -47.47 -56.64 6.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -43.68 77.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -58.59 -56.46 21.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.58 -55.72 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.13 -38.04 56.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -62.13 -47.38 84.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.118 . . . . 0.0 110.27 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.65 -61.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 67' ' ' ALA . 12.6 p -56.13 -52.73 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' N ' ' CG1' ' A' ' 66' ' ' VAL . . . -60.28 -30.6 69.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.43 83.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.39 -41.6 98.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.3 63.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -53.59 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.11 -54.38 46.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.67 -49.14 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -61.89 -24.87 65.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.47 -58.03 3.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 0.784 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 77' ' ' MET . 45.2 pt -58.84 -44.68 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' ILE . 11.4 mtt -66.48 -32.08 73.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -68.23 -64.62 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 82' ' ' TYR . . . -49.94 -40.9 35.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.22 -63.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.16 -19.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.496 ' O ' ' CB ' ' A' ' 86' ' ' SER . 1.1 t80 -71.48 -60.79 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.5 p -62.47 -28.1 69.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -67.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -62.88 -23.67 67.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 28.5 t -73.37 -69.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.21 -34.38 56.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -45.69 -26.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 86' ' ' SER . 27.2 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.96 -53.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 t 47.9 -174.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.039 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.8 -22.91 65.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -57.31 -68.05 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.67 -44.74 96.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -48.16 -42.36 29.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -76.16 -35.43 59.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -57.99 -69.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -41.05 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' N ' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER 38.81 84.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -174.41 -150.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -48.28 174.31 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.03 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.77 -19.78 22.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -42.56 -51.18 11.93 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.99 -64.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' PRO . 67.1 mt -39.93 -51.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.6 -54.46 35.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tp -45.32 -60.23 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.72 -63.15 4.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.6 -19.75 6.8 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -56.66 4.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.75 -38.91 64.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.35 -66.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 t -44.2 -66.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.08 -58.06 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.26 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 6.3 t80 -41.39 -31.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.0 mt -50.82 -52.02 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -55.14 -59.37 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -55.27 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ALA . 59.4 t -41.4 -51.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' VAL . . . -40.23 -66.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -46.88 -54.04 10.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -45.56 -67.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.573 ' HB3' ' CD1' ' A' ' 44' ' ' TYR . . . -51.97 -22.46 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -72.11 -50.36 28.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.5 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 70' ' ' ALA . 27.6 m -53.79 -34.08 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.04 -69.15 1.36 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -45.94 -55.07 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.9 mt -43.14 -70.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mmt -53.51 -19.95 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.469 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -66.88 -65.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.24 -38.53 90.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' O ' ' OG1' ' A' ' 83' ' ' THR . . . -59.93 -69.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 0.771 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' TYR . 21.9 t -49.25 -57.95 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.1 t80 -37.51 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 66.5 p -54.17 -49.24 69.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -70.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.481 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 4.2 t80 -53.75 -59.63 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' TYR . 72.2 m -39.11 -65.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' VAL . 4.7 t0 -50.48 -50.16 53.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 2.1 t80 -37.5 -33.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' ASP . 63.7 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.9 -51.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t 51.99 175.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.029 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.01 -20.94 66.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -60.21 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.09 -49.06 75.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -66.27 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -50.98 -39.04 54.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.324 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -53.94 35.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -149.98 123.86 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.2 173.54 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 65.95 168.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.49 171.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.65 43.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.2 tt -100.09 -19.36 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.68 -48.92 58.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.95 -80.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.5 1.79 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' PRO . 43.8 pt -38.37 -44.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -65.38 -46.83 84.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' PRO . 10.5 tp -50.6 -56.84 9.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.25 -63.84 4.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.505 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -48.8 -22.3 2.77 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.9 t -78.11 -61.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.5 -53.12 3.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 11.5 p -61.26 -54.54 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 2.3 t -44.54 -70.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.25 -38.96 5.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 40' ' ' VAL . . . -50.13 -61.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -54.38 -45.24 72.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 mt -44.03 -61.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -38.25 -59.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -56.72 13.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tt -42.89 -54.59 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.2 ptt-85 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -21.78 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.22 -68.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.55 -35.46 13.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -64.81 -63.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.35 -20.09 10.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -69.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 108.233 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.99 -57.71 10.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.5 t -52.4 -56.21 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.14 -26.18 34.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.586 1.179 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.12 -59.09 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.4 pt -58.99 -29.21 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.64 -47.12 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.57 -42.21 98.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.64 -58.05 15.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.81 -38.74 76.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -58.48 -67.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.443 ' O ' ' CB ' ' A' ' 86' ' ' SER . 1.1 t80 -51.95 -36.94 51.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -55.08 -58.1 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -66.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -37.8 -51.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 9.0 t -68.14 -47.67 67.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.3 OUTLIER -40.42 -44.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -37.77 -55.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.5 t -151.19 -77.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.56 170.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.7 -27.51 7.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -67.39 0.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -42.81 89.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -39.64 41.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.13 -38.56 35.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -53.0 -44.28 67.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.3 m -44.32 -94.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.4 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' SER . 4.7 tp10 -174.32 -60.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.332 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -44.56 168.31 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -174.6 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.759 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -93.99 -19.62 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -44.98 -50.24 26.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -75.03 -69.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' PRO . 15.7 mt -39.42 -36.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.01 -49.62 21.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -47.45 -46.68 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.16 -59.78 7.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -51.51 -20.25 5.26 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.21 -57.66 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.32 -45.16 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 41' ' ' VAL . 14.0 p -70.22 -46.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 2.3 t -51.94 -70.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.55 -49.49 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.88 -56.64 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.22 -53.89 46.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.31 -60.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.6 mm -55.39 -56.63 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.8 -56.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -57.89 -47.2 83.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.42 -65.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 1.3 ttp180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.18 -53.79 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.77 -57.24 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.72 -42.71 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 19.3 tt0 -73.33 -60.01 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.32 -33.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.56 -52.46 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -50.48 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 74' ' ' GLY . 17.9 m -59.81 -49.14 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -39.59 -52.49 3.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.99 -57.37 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.2 mt -40.72 -70.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -54.78 32.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 2.2 tp -40.24 -39.95 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.35 -52.58 8.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.79 -53.66 11.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 0.778 . . . . 0.0 109.373 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 82' ' ' TYR . 34.4 m -60.83 -50.8 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -39.32 -54.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.5 m -67.59 -37.58 82.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -69.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.38 -38.37 74.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 15.0 t -55.86 -61.22 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -34.07 72.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -49.67 -21.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.6 -46.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.99 174.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -24.44 14.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -65.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.4 -45.76 78.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -53.27 3.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -72.02 -40.34 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -49.42 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.37 122.02 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.87 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -178.33 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.4 167.71 8.86 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 171.78 17.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.94 -19.91 18.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.517 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -43.37 -50.9 15.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.04 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' PRO . 25.4 mm -40.29 -38.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.7 -50.24 15.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.46 -56.86 6.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 0.796 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 38' ' ' CYS . . . -62.83 -65.42 3.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -41.34 -27.46 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 39' ' ' LEU . 8.8 t -76.01 -61.64 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -40.06 -40.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.2 t -70.27 -51.57 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 41.4 t -53.07 -70.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.83 -48.67 15.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 39' ' ' LEU . . . -46.8 -52.98 12.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -66.82 -31.02 71.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -60.67 -60.34 3.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.45 -52.65 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -44.74 -52.88 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -55.24 37.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.4 tt -41.33 -54.25 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.66 -63.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.74 96.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.69 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' CYS . 37.4 mt-30 -48.2 -64.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . -40.46 -32.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.403 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -69.64 -63.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 108.294 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.98 -70.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -46.53 -57.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.99 -51.36 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.02 95.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.2 mt -54.46 -66.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.487 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 20.2 ptm -54.89 -31.62 60.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 1.7 tm? -60.72 -57.42 12.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.14 -55.18 31.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.9 -68.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 77' ' ' MET . 83.5 t -45.05 -61.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' LEU . 35.0 t80 -38.19 -55.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 m -54.36 -41.35 69.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -67.66 -70.07 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -44.36 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 m -65.04 -60.37 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -44.4 -38.31 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -40.42 -44.86 2.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 21' ' ' LEU . 62.2 t -129.92 -65.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.92 174.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -24.4 66.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -63.68 -66.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 1.9 tt -53.97 -47.48 71.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.445 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -44.31 -60.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -42.8 68.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -43.33 64.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 m -64.19 151.1 44.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -170.06 84.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 43.56 -162.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.25 135.99 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.37 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.0 mm? -100.06 -19.04 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.03 -49.56 39.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -74.99 -79.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.5 mt -37.89 -32.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -70.25 -53.39 13.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -51.05 -41.65 60.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.06 -69.45 1.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.88 -19.87 5.59 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.72 -69.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tt -41.77 -37.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.47 -62.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 t -49.19 -66.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.56 -59.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -40.86 -59.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.74 -48.73 66.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -56.9 10.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.432 ' CG2' ' O ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -60.63 -29.85 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.57 -47.17 82.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -72.23 -46.62 55.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -66.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.02 -54.85 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.73 -30.79 71.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.95 66.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -59.39 -42.62 92.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.11 -27.19 66.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.98 -40.64 71.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.96 -69.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.7 p -52.42 -30.26 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.89 -49.81 39.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.95 76.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.7 mt -70.41 -69.58 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 tpt -41.61 -60.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -59.77 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.44 -63.65 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.95 -55.19 21.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' TYR . 72.7 t -43.96 -69.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -37.51 -55.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -49.11 -46.84 45.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' ASP . 3.8 mtt -68.71 -69.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -37.72 -37.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 m -78.91 -45.89 19.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' MET . 0.2 OUTLIER -54.18 -32.4 55.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -37.03 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 87' ' ' ASP . 9.4 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.35 -79.14 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.44 177.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.049 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.86 -25.73 43.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -56.02 -59.72 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.42 -50.92 65.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.51 -40.81 1.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -50.73 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -30.05 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -38.87 148.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.18 -167.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -135.0 62.75 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.48 168.6 8.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.03 139.27 24.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.44 ' HA ' ' CG2' ' A' ' 33' ' ' ILE . 1.1 pp -99.43 -19.98 16.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.29 -49.83 79.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -75.01 -52.29 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -49.75 -41.59 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -68.63 -56.79 8.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.3 -62.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.17 -62.39 5.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.03 -21.91 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -62.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 8.0 mp -45.41 -37.69 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.5 -62.32 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.6 t -49.27 -70.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.51 -58.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 39' ' ' LEU . . . -41.59 -60.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -52.11 45.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -48.61 -60.05 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' LEU . 35.9 mm -52.87 -64.59 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.93 -41.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -67.48 -46.94 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' ILE . 3.0 tt -63.77 -70.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 67' ' ' ALA . 4.0 p -70.22 -48.02 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.448 ' N ' ' CG1' ' A' ' 66' ' ' VAL . . . -64.22 -40.48 96.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.41 58.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.33 89.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.43 -26.86 68.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -55.46 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.37 -65.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.2 t -50.52 -61.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.14 -56.12 4.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.09 -69.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.9 mt -40.72 -69.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.48 -37.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -69.65 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.74 -49.13 1.9 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.95 -68.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' MET . 9.2 t -41.02 -69.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.0 -55.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.2 m -49.45 -42.36 42.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -72.88 -68.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 8.5 t80 -37.43 -47.56 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.098 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.447 ' C ' ' N ' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -69.61 -55.61 9.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.964 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 88' ' ' TYR . 10.6 t0 -41.61 -28.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.447 ' N ' ' C ' ' A' ' 86' ' ' SER . 90.7 t80 -36.58 -38.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.522 0.201 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.69 -58.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -179.86 72.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 74.88 -60.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.15 170.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 62.06 141.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -163.35 166.25 23.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 107.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -159.57 152.89 22.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 108.022 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 10.5 p -157.31 91.34 2.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 149.25 36.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.535 1.808 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -48.32 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.767 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -43.96 164.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.79 87.55 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 46.64 40.73 8.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 59.84 171.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -146.08 -96.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 108.252 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 18' ' ' SER . 17.2 t -82.1 -88.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.433 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 19.8 m 59.97 171.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.35 -26.06 7.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -56.39 -68.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.5 OUTLIER -64.39 -21.07 66.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.29 -52.23 66.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -27.3 47.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -46.73 83.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 21' ' ' LEU . 68.6 p -53.33 -172.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -169.97 -86.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 28' ' ' SER . 4.7 pt-20 179.99 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -39.08 156.63 0.13 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.13 7.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -97.13 -19.68 18.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.59 -50.16 52.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.6 Cg_endo -74.92 -74.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.77 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' PRO . 38.6 mt -39.12 -46.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -60.43 -61.25 7.29 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 tp -40.83 -59.08 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.6 -60.33 5.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.12 -19.76 25.09 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -45.96 35.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 4.3 tp -62.67 -41.18 98.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -67.79 -58.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' ALA . 11.2 t -52.81 -70.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -40.39 -53.32 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 39' ' ' LEU . . . -46.79 -61.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CD2' ' HB3' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -53.17 -31.07 40.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -66.43 -65.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 pt -49.77 -30.98 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -65.17 -58.78 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -57.3 -46.46 83.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -55.67 -52.05 65.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -76.43 168.56 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 t -111.0 78.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -124.94 164.33 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.12 -53.61 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 t 71.11 69.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -129.82 -51.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.92 63.0 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.86 37.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.6 p -160.57 76.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 41.6 pt -99.45 28.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.93 -54.07 2.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.565 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 68.85 72.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.2 tp -164.93 -52.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -93.9 72.82 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.572 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.6 p -124.64 -152.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.54 -66.06 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.41 -32.28 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.77 -49.7 36.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.4 91.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.65 -44.92 88.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . . . -65.92 -28.66 69.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -59.31 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.95 -66.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -47.51 -58.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.02 -44.7 9.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.51 -56.15 25.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.5 mt -57.07 -69.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.32 -67.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 79' ' ' GLY . 5.3 tt -42.65 -63.78 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.76 -60.32 1.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.59 -62.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' MET . 56.3 t -40.49 -68.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -37.76 -58.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.8 m -47.29 -41.49 19.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' VAL . 18.9 mmt -73.27 -68.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -36.88 -44.51 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.14 -50.52 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.51 -26.96 3.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -38.66 -34.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 90' ' ' LYS . 77.7 t -48.49 165.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 89' ' ' VAL . 4.5 mttt -40.46 -59.97 1.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 171.22 -37.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.11 164.64 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 76.49 58.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -91.4 76.34 5.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -104.04 67.9 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.96 166.78 21.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.61 145.78 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -122.56 115.85 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.529 0.204 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -122.28 125.43 45.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.52 -60.11 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 56.07 103.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.36 -60.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.4 110.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.0 92.53 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 19.5 p90 -68.13 160.56 28.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -114.03 93.46 30.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.31 16.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.783 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 162.61 36.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -52.37 -55.02 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -179.05 -63.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -141.8 101.5 3.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -136.93 128.0 27.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -76.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.347 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.412 ' CA ' ' HB3' ' A' ' 21' ' ' LEU . 22.1 m -132.96 -48.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t 57.55 177.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.07 -21.32 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.06 -70.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 ' HB3' ' CA ' ' A' ' 17' ' ' VAL . 4.8 tt -56.72 -39.9 74.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.64 -63.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -55.43 -31.97 62.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -56.44 -58.41 8.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -114.0 113.01 24.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 176.87 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.48 -65.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.11 169.82 17.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.59 30.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' CD2' ' C ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -96.16 -19.47 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.92 -51.12 41.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -40.28 -41.36 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.85 -56.0 14.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -46.72 -61.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.35 -62.84 4.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.49 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -51.83 -20.17 5.81 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -69.62 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.33 -40.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.68 -52.79 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 15.5 t -53.9 -68.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.62 -51.28 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.17 -64.31 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -49.94 -60.09 3.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -65.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.0 mt -43.01 -58.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -41.52 -48.53 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -59.29 -47.12 86.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.55 -60.29 3.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.52 144.43 13.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.09 144.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.043 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.63 130.12 22.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.41 -133.14 2.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.24 -58.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 m -157.44 -60.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -115.39 168.12 10.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 49.0 92.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 m -179.61 173.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mp 63.02 151.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 53.71 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.99 69.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 27.3 mm 62.62 94.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -43.3 112.47 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -131.37 -51.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -157.23 -44.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.8 t -45.79 -61.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.06 -45.95 43.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.54 -47.62 69.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -59.33 5.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.51 -27.84 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.92 -51.45 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.67 -68.28 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.4 m -50.37 -43.08 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.68 -33.84 84.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.0 -65.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -47.63 -44.54 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' ALA . 6.3 mtt -61.46 -59.61 4.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -40.94 -45.67 2.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.19 -40.92 95.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -62.66 -64.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.9 m -49.75 -38.46 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 78' ' ' LEU . 1.8 m-85 -58.59 -57.82 11.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.0 m -55.13 -39.02 68.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -69.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -53.23 -19.87 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 m -80.12 -70.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.7 -19.67 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -54.47 -19.77 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' TYR . 0.6 OUTLIER -39.92 -80.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mttt 60.6 59.98 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.75 76.69 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.2 ttp 59.6 119.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.048 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 71.98 148.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -105.27 -54.63 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -52.32 60.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.1 159.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -138.67 -86.03 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 65.67 152.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.35 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.3 tttm . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.479 0.181 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -103.25 97.45 7.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.92 108.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.93 90.75 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.67 128.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.414 ' HB3' ' CE3' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -51.63 -178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.414 ' CE3' ' HB3' ' A' ' 6' ' ' ARG . 23.4 m-90 53.55 -177.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 72.51 -64.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 p 40.51 88.46 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.44 20.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.29 4.85 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.04 -70.9 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.89 92.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.99 123.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -94.58 102.51 14.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -140.32 -70.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.258 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.401 ' O ' ' CB ' ' A' ' 21' ' ' LEU . 72.3 t -116.85 -84.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t 59.77 170.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -21.25 61.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -65.63 -59.9 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 1.3 tm? -63.67 -40.18 96.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -48.47 70.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -64.05 -47.14 81.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.75 -43.27 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.3 m -67.0 161.28 24.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLU . 2.6 ttp180 -176.32 83.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 44.84 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.78 147.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.6 OUTLIER -100.0 -19.33 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -44.91 -50.06 26.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.03 -75.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.543 1.812 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' PRO . 43.6 mm -38.39 -51.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -60.62 -48.77 84.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 4.6 tp -47.61 -61.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.71 -62.38 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' CG1' ' A' ' 41' ' ' VAL . . . -52.48 -19.65 6.47 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 4.2 t -78.32 -44.7 24.52 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -65.05 -30.38 71.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.1 t -78.42 -65.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.403 ' CG1' ' O ' ' A' ' 37' ' ' GLY . 7.3 p -48.3 -42.68 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -69.33 -42.43 75.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 39' ' ' LEU . . . -54.37 -45.47 72.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -66.5 -44.88 81.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -54.1 47.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 mt -55.53 -56.51 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -42.28 -47.84 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -57.63 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.48 -57.95 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.87 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 134.86 54.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.66 120.94 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.98 -152.12 1.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 t -166.85 -60.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.011 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 p -138.27 -54.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.416 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.81 124.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.8 tpp 40.98 84.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 t -54.55 148.19 12.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.2 pt -80.31 55.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -131.33 70.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.604 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mt -130.71 68.52 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -47.15 85.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -93.22 11.26 28.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.606 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 m 66.32 -73.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 63' ' ' HIS . 13.2 mtp180 -92.15 48.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.3 -70.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.61 -40.81 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.94 -51.64 69.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.24 -64.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -46.79 -30.1 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.62 -49.04 62.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 108.315 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.25 -69.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 70' ' ' ALA . 16.4 m -48.34 -32.92 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.36 -58.48 8.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.9 -58.25 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 77' ' ' MET . 8.3 tp -51.62 -50.67 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.404 ' N ' HG22 ' A' ' 76' ' ' ILE . 1.2 mtp -51.45 -45.0 62.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -61.57 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.86 -59.91 6.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.6 -68.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t -39.89 -70.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 86' ' ' SER . 3.6 t80 -37.45 -50.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.6 m -55.35 -49.69 71.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -70.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -43.19 -38.51 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.486 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 73.2 m -71.83 -44.23 64.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -53.46 -46.99 70.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -29.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 86' ' ' SER . 72.6 t -47.77 -81.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.59 55.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.46 27.82 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.64 -177.97 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -177.88 55.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -43.84 -62.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 53.92 69.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 63.22 90.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.39 98.54 1.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.96 90.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.78 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 ttt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.503 0.192 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.6 121.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 65.34 145.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 179.13 108.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -134.5 146.11 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.1 153.81 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.1 p90 -136.44 133.31 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 108.03 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -114.63 -61.69 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.404 ' N ' ' HD3' ' A' ' 10' ' ' PRO . 16.0 m 40.54 64.97 4.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 18.4 Cg_endo -74.95 165.41 31.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -17.45 19.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 49.26 94.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.71 140.08 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -39.97 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 t0 51.11 88.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 11.6 p -68.64 -47.07 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 16' ' ' CYS . 79.4 t -155.09 -69.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m 61.29 171.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.029 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.25 -22.8 4.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -60.43 -69.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -24.96 68.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -68.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -40.07 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -44.51 -64.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 t -85.08 108.84 17.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -75.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.3 -80.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER 53.11 178.62 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 133.69 16.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.553 1.817 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.9 pp -95.5 -19.91 19.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.53 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.65 -51.05 73.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.5 Cg_endo -75.02 -71.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.3 mt -42.85 -35.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . -70.79 -48.55 33.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -47.84 79.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.27 -69.89 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.77 -19.85 5.37 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.5 t -75.29 -46.32 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -37.24 86.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.03 -70.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 9.5 p -47.14 -53.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 41' ' ' VAL . . . -44.59 -54.39 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.82 -56.42 12.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -50.5 -37.88 41.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -67.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mt -44.53 -57.23 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -43.34 -56.55 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -56.24 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -60.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -48.8 122.12 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t 67.07 125.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.65 158.5 16.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.3 123.05 1.12 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.5 p -107.3 83.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.2 m 46.07 58.03 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.69 75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.4 tpt -174.83 144.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 m 59.95 65.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.5 mt 66.63 -77.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.65 -47.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.563 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -167.44 -78.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.471 HG13 ' CB ' ' A' ' 67' ' ' ALA . 4.4 mm -139.13 175.18 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -56.91 -59.29 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.632 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.4 m -130.67 52.49 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.3 mtm-85 46.6 29.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.1 t -49.86 -49.41 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' CB ' HG13 ' A' ' 62' ' ' ILE . . . -57.3 -48.78 78.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.2 -60.76 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -50.33 -59.18 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -49.55 -28.97 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -49.79 55.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.57 -69.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 70' ' ' ALA . 21.2 m -48.89 -32.56 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.03 -69.78 1.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.18 -43.27 1.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.776 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.8 mm -58.99 -68.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.2 mmm -46.34 -60.44 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.444 ' CD1' HG22 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.99 -51.94 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.72 -43.88 91.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -61.41 -64.65 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.76 -37.6 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.18 -45.16 95.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -61.7 -47.73 83.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.0 mtm -66.78 -70.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.436 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 38.8 t80 -39.88 -46.74 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.3 t -68.14 -45.77 72.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' VAL . 11.2 t0 -53.07 -27.17 18.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 78.4 t80 -37.49 -33.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -44.82 166.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -45.41 -64.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.71 -61.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.07 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . . . -130.61 69.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.4 mm-40 -38.93 -55.42 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 70.13 -61.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 94' ' ' GLN . . . -64.82 91.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -42.96 -91.53 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.56 1.163 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 48.75 82.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.497 0.189 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -83.38 136.06 34.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.22 -61.07 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.05 92.38 9.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.8 82.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.7 162.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 63.86 145.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -177.53 78.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 107.985 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.7 p -149.47 86.92 5.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 154.98 42.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 160.83 39.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -135.8 -53.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.59 173.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -144.64 153.99 42.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.6 p-10 -146.75 84.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.6 m 64.91 -97.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 108.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 21' ' ' LEU . 70.8 t -122.71 -48.85 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 t 53.49 173.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.91 -20.04 65.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -65.39 -63.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.4 OUTLIER -62.13 -42.06 98.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -48.96 -59.64 3.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -39.71 82.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -46.74 -56.73 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 m -157.98 134.6 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -178.37 81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.59 169.56 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.38 166.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.957 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.03 32.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -99.17 -19.73 17.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.527 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.58 -50.87 63.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' PRO . 22.8 mm -39.99 -37.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -66.76 -54.24 23.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -47.52 -48.8 27.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.73 -67.5 2.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.497 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -51.18 -19.88 4.29 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.9 t -73.14 -70.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 tt -41.81 -46.0 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.44 -51.56 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 24.6 t -56.6 -67.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' HA ' ' CD ' ' A' ' 45' ' ' ARG . . . -39.94 -37.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.17 -54.03 35.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.497 ' CE1' ' HB3' ' A' ' 70' ' ' ALA . 34.0 t80 -53.06 -61.57 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' CD ' ' HA ' ' A' ' 42' ' ' ALA . 13.6 ptt180 -51.76 -38.44 55.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.419 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 4.2 mm -62.77 -71.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -37.74 -44.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 ttp85 -62.34 -58.94 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 tp -50.68 -63.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.8 175.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.4 ' CB ' ' HD3' ' A' ' 56' ' ' LYS . 60.5 p -140.79 140.65 34.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.944 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 -58.33 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.46 -70.01 0.29 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -58.71 -57.65 12.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.0 p -83.63 60.42 5.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HD3' ' CB ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -162.8 64.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.2 tpt -148.34 77.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.09 177.66 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 pt -78.26 89.29 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.232 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 56.28 30.35 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.571 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.51 64.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.464 ' O ' ' CG2' ' A' ' 62' ' ' ILE . 59.7 mt -136.79 63.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.49 58.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.552 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 8.3 m -153.94 138.66 17.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -50.83 71.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.0 t -61.77 -69.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.73 -56.57 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 64' ' ' THR . . . -44.83 -67.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -46.4 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.497 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . . . -41.06 -31.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -69.6 -55.57 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -60.21 -66.92 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 70' ' ' ALA . 11.4 m -50.59 -33.82 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -62.6 -47.65 87.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.7 -56.97 14.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.71 -68.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' LEU . 6.5 ttm -45.09 -64.09 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 28.1 tp -40.33 -66.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.34 -50.19 2.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.19 -66.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 84' ' ' MET . 58.7 t -40.51 -70.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -38.5 -60.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.9 m -46.41 -39.32 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 81' ' ' VAL . 5.3 tpp -73.0 -67.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -36.99 -39.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -79.7 -58.93 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.035 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -42.08 -28.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.443 ' N ' ' C ' ' A' ' 86' ' ' SER . 8.3 t80 -35.77 -37.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -43.44 -91.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.91 17.11 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -144.98 87.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.428 ' CG ' ' O ' ' A' ' 92' ' ' MET . 9.8 ptt? -75.96 119.97 20.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -152.11 -64.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.28 79.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -113.66 -55.83 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.93 120.78 4.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -38.83 -73.61 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -56.07 113.23 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mmm . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.499 0.19 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 t -147.74 152.9 38.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.75 -60.82 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 176.3 91.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 43.16 91.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -76.72 104.7 7.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -97.18 87.59 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.0 110.41 0.81 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.404 ' CG1' ' HD2' ' A' ' 10' ' ' PRO . 69.2 t -49.62 141.23 13.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD2' ' CG1' ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.04 172.27 16.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 65.19 6.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.4 120.84 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -150.74 111.43 4.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -76.6 78.85 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.72 160.69 22.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -48.2 7.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 108.291 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 21' ' ' LEU . 2.9 p -150.61 -58.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p 49.23 -174.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.26 -21.41 66.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -60.6 -69.43 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -61.55 -46.86 88.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tp -45.12 -68.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -46.5 44.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -42.74 -52.56 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -149.04 125.95 11.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 1.5 ptt180 -179.68 72.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -176.22 170.8 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.24 169.15 0.11 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.45 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.0 146.85 33.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -99.43 -19.92 16.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -52.3 -50.12 81.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.02 -70.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.1 mt -43.85 -32.19 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -71.79 -52.93 10.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -51.21 -47.6 62.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.19 -69.64 1.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.0 -24.03 1.27 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . 49.6 t -72.61 -67.87 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' CYS . 0.4 OUTLIER -40.41 -40.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.476 HG11 ' CE2' ' A' ' 44' ' ' TYR . 77.1 t -68.94 -57.14 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.4 t -48.84 -66.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.95 -54.59 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.73 -60.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.476 ' CE2' HG11 ' A' ' 40' ' ' VAL . 18.9 m-85 -55.87 -48.96 74.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -49.03 -65.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.0 mt -46.62 -62.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -38.43 -50.87 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -54.45 44.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.26 -65.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -59.57 149.11 31.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.45 105.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 109.962 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -40.85 94.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' THR . . . 92.03 -92.86 1.74 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.16 -65.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 0.788 . . . . 0.0 110.045 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' GLY . 50.0 p -124.25 62.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.6 tttp 176.48 152.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.06 -64.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' LYS . 1.4 t -50.2 -55.09 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.6 72.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -177.66 -55.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' ILE . 5.7 mt -48.46 -68.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 61' ' ' LEU . 7.1 pt 51.32 178.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.04 97.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.6 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' ARG . 95.7 m 63.47 65.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HB2' ' CB ' ' A' ' 68' ' ' ALA . 5.5 mmt180 -38.61 100.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.6 t -50.86 -40.29 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.24 -44.88 86.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' CB ' ' HB2' ' A' ' 65' ' ' ARG . . . -57.24 -68.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -49.65 -32.94 14.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.93 -34.76 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.77 -56.26 7.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -69.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -49.1 -61.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.37 -65.75 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.99 -55.66 2.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.2 mt -54.15 -69.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -38.68 -68.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' MET . 1.1 mp -39.85 -46.32 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.38 -69.66 1.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.84 -60.88 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.7 t -40.75 -66.05 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -37.92 -57.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -48.59 -64.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' ASP . 2.5 mmt -52.79 -70.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.453 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 2.6 t80 -36.84 -62.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -39.9 60.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 84' ' ' MET . 3.8 t70 -55.13 -42.2 72.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.453 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 42.6 t80 -37.68 -33.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p -45.15 146.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 91' ' ' ARG . 11.8 pttt -41.69 -49.08 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 0.4 OUTLIER 164.4 109.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -121.3 120.36 34.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -131.5 134.13 45.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.07 68.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -174.26 -56.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.18 -61.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.93 -136.14 8.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' LYS . 28.7 mt-10 -121.75 127.36 50.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.527 0.203 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.1 135.91 57.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.02 65.65 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -178.83 138.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -145.22 95.86 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -65.44 164.95 12.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -106.85 142.16 36.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.022 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -120.91 154.63 35.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.0 m -100.5 154.48 37.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 153.32 41.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -174.33 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t0 178.18 71.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -167.66 -177.1 3.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -55.19 92.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.25 95.93 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.16 -63.27 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -159.46 -46.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.12 172.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -28.07 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -55.1 -59.42 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.38 -42.85 74.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -43.21 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -80.01 -55.58 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.4 -64.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.7 p -38.63 106.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -60.07 -173.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.168 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -109.75 41.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.61 170.83 4.95 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 158.43 42.21 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.543 ' CD2' ' C ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -99.51 -19.53 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.51 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -50.76 -51.59 64.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 -68.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.5 mm -42.24 -42.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -69.15 -43.51 71.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -56.1 20.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.69 -61.84 7.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -20.12 7.34 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.2 m -78.94 -45.07 21.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -31.77 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.3 t -75.12 -70.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 8.1 p -44.79 -49.41 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -56.01 -62.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.81 -49.31 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -44.95 96.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -55.01 -52.83 61.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mt -53.73 -55.25 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -45.69 -46.38 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -54.54 42.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.93 -53.71 5.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.02 173.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.3 t 62.39 120.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.2 166.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.45 59.53 1.57 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.91 95.92 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.3 m 62.48 51.61 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.05 85.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.61 -33.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.049 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.4 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 6.0 p -122.28 134.92 54.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.4 ' CG2' ' O ' ' A' ' 58' ' ' SER . 1.1 pt -168.93 -42.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.43 -46.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.583 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.457 HD12 ' CG1' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -82.63 77.87 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.69 20.01 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -44.03 7.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 m -115.2 169.36 9.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -89.48 47.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' CG1' HD12 ' A' ' 61' ' ' LEU . 8.4 p -69.53 -33.27 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.22 -52.01 46.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.76 -56.85 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -46.8 -52.64 13.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.39 -25.89 68.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.5 t -63.78 -51.35 65.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.47 -69.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.7 t -41.13 -46.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.45 -45.49 90.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.17 -55.49 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.335 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.5 mt -59.43 -66.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.493 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -38.56 -34.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.01 -62.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.91 -54.91 26.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.7 -65.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 77' ' ' MET . 25.5 t -41.15 -57.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.36 -59.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -27.54 65.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -71.9 -70.05 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -56.57 -22.38 33.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.1 t -78.19 -66.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.71 -28.63 49.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -50.37 -23.49 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.7 m -50.59 176.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -176.33 103.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.7 ttp -131.11 120.04 22.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 73.05 80.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -47.47 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 97' ' ' GLY . 1.4 p-10 -178.5 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 69.09 -67.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 95' ' ' ASP . . . -95.15 104.83 3.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.33 170.65 4.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.517 0.199 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.23 111.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.15 175.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -155.38 155.29 33.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -174.7 117.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -179.63 169.89 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.0 t90 67.69 63.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.04 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -136.63 72.01 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 107.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.03 106.64 12.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.365 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 149.0 36.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 51.32 178.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.08 -49.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -165.38 -60.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 60.12 153.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.58 -75.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -144.43 -49.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.24 176.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -57.51 -26.87 61.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -57.55 -69.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -32.95 66.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -65.96 -24.23 66.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -60.96 -69.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 t -56.11 110.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 -59.96 179.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.59 61.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -115.29 178.58 0.94 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.95 147.67 34.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.4 pp -99.26 -19.93 16.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.524 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -50.15 -51.6 61.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.1 Cg_endo -75.01 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.5 mt -40.66 -35.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.72 -46.28 31.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -54.2 -50.12 67.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.48 -65.63 2.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.45 -21.58 3.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . 13.4 t -75.2 -68.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' CYS . 1.9 mp -40.33 -39.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.76 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ALA . 32.1 t -49.33 -65.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -40.09 -57.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.87 -63.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.81 -53.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -57.19 -63.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.8 mt -42.63 -64.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -41.22 -46.86 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -50.87 68.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -51.25 70.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.69 -70.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.66 106.17 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.0 77.76 1.2 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 76.0 p -123.31 170.84 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -61.95 -61.93 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.465 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -120.3 -64.15 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -178.44 154.37 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -177.27 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.06 111.31 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 44.27 65.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.599 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.6 tp -129.25 -65.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.8 mm 59.12 87.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 34.2 t60 -160.08 35.7 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.0 p -118.68 -173.91 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.28 -53.96 2.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 m -46.65 -45.65 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.55 -59.08 5.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.16 -55.07 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -64.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.53 -31.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -55.5 7.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.32 -68.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.3 t -49.66 -50.04 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -50.49 -42.62 43.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.08 -69.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.8 mm -42.15 -68.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' LEU . 2.8 tpt -41.93 -64.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 7.7 tp -40.53 -66.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.82 -48.57 1.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.82 -57.1 14.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' MET . 79.4 t -48.11 -68.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -37.74 -53.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -50.59 -45.83 57.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' VAL . 8.8 mtt -71.5 -69.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -37.68 -37.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.3 t -77.89 -49.77 13.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -49.92 -26.69 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' ASP . 31.7 t80 -37.58 -39.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.5 t -53.78 122.73 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -45.77 -74.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 176.7 43.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 68.55 121.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.09 -68.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -140.29 68.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.81 -57.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 60.42 173.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -68.87 -83.08 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -124.43 116.31 22.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.525 0.203 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -135.99 100.74 4.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.38 168.43 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -81.67 122.74 28.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.93 143.61 22.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 39.52 38.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -116.52 104.89 11.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 107.984 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 178.66 149.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.47 ' CG2' ' HD2' ' A' ' 10' ' ' PRO . 4.1 p -157.84 141.99 11.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.03 170.73 19.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' ASP . 18.2 Cg_endo -75.01 -35.31 3.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' PRO . 27.7 m-20 58.12 160.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 174.9 164.33 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -59.32 114.19 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -156.36 172.51 18.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.2 m -125.67 -61.95 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' CG1' ' HG ' ' A' ' 22' ' ' LEU . 24.7 t -147.52 -74.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.39 178.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -19.82 52.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -62.98 -70.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -45.14 84.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' HG ' ' CG1' ' A' ' 17' ' ' VAL . 3.6 mt -50.99 -69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -42.21 -50.52 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -57.45 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -130.79 124.08 30.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.76 73.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.63 160.77 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.67 165.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.05 41.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -96.41 -19.85 18.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.561 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.74 -49.34 73.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.0 -75.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -40.49 -31.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -73.59 -48.79 16.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -55.52 -51.79 65.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.17 -65.5 3.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.502 ' O ' ' CG1' ' A' ' 41' ' ' VAL . . . -52.22 -19.69 6.05 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.7 m -76.1 -49.02 18.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -64.61 -25.76 68.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.2 t -74.3 -69.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 37' ' ' GLY . 3.9 p -51.63 -40.37 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -65.8 -45.96 80.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 39' ' ' LEU . . . -51.22 -47.67 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -63.71 -47.19 82.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -53.1 -57.49 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.38 -63.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.15 -53.0 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -50.54 -55.89 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -65.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.43 99.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 p 172.95 177.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -123.57 76.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 130.29 -75.08 0.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -172.25 -62.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 t -175.76 -45.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.58 76.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 70.45 -59.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 t 63.29 95.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.6 mm -90.36 71.81 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 69.67 64.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.573 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 44.45 90.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.1 pt -143.49 -180.0 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 t60 70.05 127.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.582 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 66.43 115.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.402 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -29.54 56.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.9 t -48.74 -62.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.98 -61.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.65 -57.79 2.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -49.37 -62.69 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.3 -29.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -57.69 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.97 -68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -50.24 -59.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -41.38 -45.44 4.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 -61.36 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -50.42 -70.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 ttt -40.48 -60.11 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -44.44 -65.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.53 -53.28 1.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.31 78.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 78' ' ' LEU . 70.2 t -54.46 -61.94 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -44.13 -45.36 8.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -56.1 -52.31 64.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -70.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -36.77 -53.4 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.1 t -59.66 -50.32 74.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -48.42 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -38.96 -43.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.0 t -46.67 122.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -83.24 59.99 5.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 82.75 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -177.55 150.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -177.26 48.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -155.54 -58.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 97' ' ' GLY . 7.5 t70 59.05 69.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.63 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' ASP . . . -162.28 133.02 2.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.36 138.76 14.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.533 0.206 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -172.69 112.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.55 155.88 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.95 103.56 7.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 147.8 52.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -76.46 77.68 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 61.93 162.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -108.74 155.23 20.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.029 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t 61.01 94.47 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.86 15.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -178.96 4.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.787 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -155.15 89.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -93.47 -51.57 4.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -121.03 82.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.32 98.92 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -174.44 -72.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 108.341 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.0 t -134.82 -78.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.5 m 62.58 170.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -53.11 -23.78 8.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -61.59 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.15 -44.67 87.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.37 -51.2 4.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -52.5 22.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.63 -67.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.5 m -39.82 101.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -179.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -78.7 -177.01 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.482 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER 79.59 176.88 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.04 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -100.09 -19.48 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.553 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.48 -49.7 43.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.04 -70.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' PRO . 47.3 mt -39.76 -37.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -69.43 -51.2 27.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.32 -50.67 38.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.91 -64.95 3.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.91 -19.71 5.49 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.68 -66.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -52.95 -23.69 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.8 t -73.32 -70.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 42' ' ' ALA . 12.6 p -50.51 -54.09 10.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' A' ' 41' ' ' VAL . . . -50.65 -58.76 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' LEU . . . -40.73 -48.53 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.5 -47.16 82.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.61 -52.21 14.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -67.74 -35.46 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.402 ' N ' HG21 ' A' ' 46' ' ' ILE . 4.0 t80 -58.01 -42.45 85.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -77.14 -51.38 11.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.4 -49.74 3.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.86 164.47 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.52 145.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.073 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -142.32 135.57 28.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.57 -66.14 0.33 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' LYS . 4.6 m 67.63 138.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 110.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 49.9 m 67.75 -67.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.4 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -70.42 -41.28 73.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.1 ttp -166.72 126.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -159.25 -70.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.47 ' CD1' HD12 ' A' ' 62' ' ' ILE . 49.2 pt -123.54 -42.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.19 160.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.611 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.32 37.28 2.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.47 HD12 ' CD1' ' A' ' 59' ' ' ILE . 2.9 tt -109.47 119.79 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -91.82 23.44 3.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 109.606 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.3 m 50.65 60.63 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -166.66 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.2 m -60.55 -52.12 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . . . -66.16 -50.18 64.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.58 13.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.436 ' C ' ' N ' ' A' ' 71' ' ' CYS . 3.3 mt-30 -61.74 -66.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -40.11 -30.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -70.15 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.302 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.05 -64.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.491 ' O ' ' CG ' ' A' ' 77' ' ' MET . 16.4 m -52.97 -33.3 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.36 -32.02 78.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.65 -55.77 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.416 ' CG2' ' HA ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -59.58 -35.34 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 73' ' ' VAL . 4.5 mmt -72.5 -66.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.474 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 1.4 tm? -39.72 -42.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' TYR . . . -66.66 -58.78 7.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -44.04 -51.63 7.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 12.0 p -62.91 -35.93 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.8 t80 -53.29 -59.64 4.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -62.7 -37.11 85.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -70.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.423 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 87.1 t80 -54.61 -31.19 56.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -64.85 -70.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.6 -24.12 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.423 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 2.3 t80 -40.92 -30.98 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.6 m -46.18 163.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -65.85 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.95 -53.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.0 120.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.95 -67.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 73.77 95.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.69 -55.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.71 -59.56 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.01 -168.45 41.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.09 170.52 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.51 0.195 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -88.81 99.17 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.84 93.01 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -166.75 -56.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -38.92 119.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.72 130.5 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -60.65 149.79 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.0 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -54.87 131.71 44.85 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 m -80.98 145.03 56.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.66 41.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.14 43.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -70.15 -50.45 40.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t70 178.17 -49.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.74 -48.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.71 141.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.3 t -125.34 -74.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.4 t -100.8 -82.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 177.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.028 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -54.89 -27.27 41.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -59.29 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -52.31 53.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.9 mt -40.41 -36.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -79.75 -57.11 3.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.27 -62.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 t -54.39 -168.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.99 -176.87 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 28' ' ' SER . 14.1 pt-20 -67.84 -50.53 56.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' ' CG ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -41.52 162.27 0.13 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 pp -95.66 -19.63 19.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -42.24 -51.19 11.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -53.25 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.0 mt -46.39 -40.95 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.12 -43.64 32.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.91 -55.98 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.47 -63.36 4.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.499 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -46.57 -23.97 1.56 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.3 t -77.32 -61.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.94 -55.05 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 9.2 p -59.3 -54.96 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 2.4 t -44.14 -69.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.26 -37.07 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 40' ' ' VAL . . . -52.83 -57.22 10.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -64.08 -42.35 96.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.2 -46.0 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.14 -61.61 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -45.73 82.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.95 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.9 167.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.86 142.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.952 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -40.45 117.97 0.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -112.55 93.37 0.68 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.46 -179.96 6.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 0.725 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.3 m -59.35 131.56 51.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt 63.58 92.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.26 -54.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.7 m -129.35 158.81 38.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.29 47.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -120.76 52.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.96 83.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.2 mp 51.35 85.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -172.37 -55.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.585 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.445 ' CG2' ' HB3' ' A' ' 67' ' ' ALA . 14.4 t -82.08 168.05 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.57 -51.37 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.3 m -40.64 -50.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.445 ' HB3' ' CG2' ' A' ' 64' ' ' THR . . . -61.46 -59.73 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -42.39 -66.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 71' ' ' CYS . 51.9 tt0 -45.3 -68.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -70.05 -70.2 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.81 -62.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 75' ' ' ALA . 41.9 t -50.58 -66.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.366 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -42.23 -27.23 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 73' ' ' VAL . . . -73.92 -70.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -48.37 -53.58 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.7 ttm -53.56 -60.21 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.8 OUTLIER -40.5 -63.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.57 -65.11 2.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' GLY . . . -40.32 -69.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 84' ' ' MET . 69.1 t -39.97 -62.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 81' ' ' VAL . 4.2 t80 -37.27 -60.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.9 m -50.94 -43.27 60.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -64.35 -70.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.445 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 4.6 t80 -41.97 -58.86 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -49.25 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.35 -46.62 72.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.445 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 4.0 t80 -37.79 -34.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.7 t -45.24 119.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 59.91 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -169.01 74.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.247 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 179.06 134.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -169.3 63.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.62 98.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.06 -56.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.93 110.4 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 137.91 151.43 5.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.91 157.24 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.502 0.191 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.76 165.71 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.93 -62.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 57.95 162.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.85 115.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -104.69 -54.71 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 64.45 105.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.025 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -140.17 -68.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 108.006 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' TRP . 16.2 m 40.54 68.34 2.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.82 42.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.525 1.802 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.07 22.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.6 109.98 5.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -174.45 112.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.63 71.46 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.33 144.96 43.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.1 m -67.65 -81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.324 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 t -120.04 -70.15 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.92 171.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -53.31 -21.03 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -60.17 -69.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -46.18 90.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.7 -54.23 2.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -45.35 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.07 -66.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -39.49 106.41 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -178.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.36 -168.13 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.56 166.04 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.03 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.1 tt -100.09 -18.71 16.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -45.25 -49.37 32.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.07 -81.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' PRO . 14.0 pt -36.29 -38.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -66.55 -53.59 27.5 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.0 -50.21 37.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.75 -66.43 2.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -19.44 6.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 11.1 t -74.16 -49.62 22.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -34.23 76.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 88.0 t -74.47 -69.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -44.08 -43.23 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -67.31 -39.77 85.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' VAL . . . -58.02 -41.55 83.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -70.57 -38.76 74.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -61.54 -46.57 89.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.5 mm -63.38 -57.0 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.78 -42.82 26.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -57.54 9.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.99 -57.25 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.05 127.37 31.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m 61.0 106.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -101.21 101.56 12.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.19 82.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 m -149.95 75.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.977 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 t -167.82 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 57' ' ' MET . 2.1 mtpp 68.37 82.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.441 ' CB ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER 164.93 -34.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.99 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.11 117.57 5.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 46.5 mm 65.66 61.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -100.73 -61.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.596 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.94 70.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 pt 40.56 55.2 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -125.98 65.27 1.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.562 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 m -159.54 128.61 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 -48.26 -57.68 5.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.26 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -48.45 -62.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.67 -62.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -43.43 -63.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ALA . 2.1 mt-30 -44.11 -66.91 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -43.56 -31.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -68.04 -50.88 52.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -65.86 -69.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 70' ' ' ALA . 14.2 m -47.31 -33.43 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.08 -35.12 64.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -66.84 -53.11 35.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.766 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.49 -51.92 67.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.3 mtt -57.12 -67.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.1 tt -40.31 -64.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.4 -59.39 1.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' VAL . . . -52.71 -62.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 0.743 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' MET . 53.7 t -40.16 -67.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -39.06 -56.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -55.42 -38.39 68.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -66.02 -59.17 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -59.03 -24.62 62.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.7 m -79.42 -70.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -51.6 -27.24 10.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' VAL . 4.7 t80 -46.78 -37.45 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' TYR . 51.9 t -40.13 -79.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 tptt 42.68 55.65 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -141.32 -54.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 5.9 mtp -154.42 119.9 5.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -164.02 -71.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -173.72 -49.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 48.39 69.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.87 70.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -67.98 -66.4 2.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.133 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 59.39 113.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.446 0.165 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 m 61.23 160.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.032 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.3 83.24 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -149.09 96.58 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -140.64 93.09 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.08 101.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -152.7 63.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -116.91 -62.09 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.57 154.32 85.6 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.69 42.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.765 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.02 37.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -125.42 142.85 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -120.34 -43.77 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 59.24 54.9 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.15 173.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.5 p -109.39 -42.98 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.282 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.71 -47.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.9 p 53.79 173.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -20.41 9.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -62.95 -69.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -30.11 71.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.89 -55.86 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -46.87 73.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -43.97 -58.51 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -39.01 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -56.94 -177.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.08 50.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.59 168.58 7.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.96 42.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLY . 4.7 tp -100.07 -19.8 16.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.531 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.87 -51.16 63.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -74.98 -73.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.4 mm -41.15 -33.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.09 -49.3 22.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -54.49 -53.68 51.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.16 -65.52 3.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.475 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -51.87 -19.83 5.54 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.9 m -78.51 -42.77 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.47 -30.29 70.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.25 -63.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 30.4 m -52.13 -42.27 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -65.76 -41.08 92.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.63 -55.15 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -58.49 -39.17 79.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -57.27 -59.63 4.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -28.83 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -59.44 -61.94 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -42.11 98.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.69 -66.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 8.9 mtp-105 -69.97 125.21 26.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -179.02 172.49 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.987 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.55 75.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.97 -107.76 0.33 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.72 -63.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 m -150.65 -63.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -81.55 84.43 6.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.32 168.36 9.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m 62.8 150.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.9 tp -90.88 137.47 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 40.85 59.47 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.639 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 tp -147.95 158.95 44.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.556 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 3.1 mt 69.33 143.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 62' ' ' ILE . 45.2 p-80 52.18 24.71 2.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.61 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -95.16 -75.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.77 -43.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.0 -60.27 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.34 79.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.64 -60.44 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -53.7 -61.01 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.25 -25.0 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.416 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -74.77 -50.21 18.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.08 -60.16 3.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.19 -58.44 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.97 -34.67 16.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 71' ' ' CYS . . . -66.54 -70.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.0 tp -41.91 -45.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttt -59.5 -60.24 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.466 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 3.6 tp -40.39 -56.2 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.54 -44.41 78.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.26 -64.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 78' ' ' LEU . 25.9 m -48.26 -28.99 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.472 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -66.33 -55.54 15.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.0 p -58.05 -32.29 67.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -70.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -52.16 -28.53 18.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 73.1 m -77.33 -64.83 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' TYR . 4.3 t70 -45.91 -25.91 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.417 ' N ' ' C ' ' A' ' 86' ' ' SER . 1.7 t80 -36.94 -38.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -40.69 -80.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 80.04 57.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -140.02 -45.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.8 172.35 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.72 149.95 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 69.95 80.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -119.94 60.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 65.13 80.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.05 -124.29 1.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.66 152.99 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.75 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.52 0.2 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -155.76 83.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.88 -62.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t30 62.17 110.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -139.6 -67.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 44.38 79.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.298 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.0 m0 54.3 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 107.989 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 71.82 93.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -172.56 65.59 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.53 3.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.17 4.03 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.34 164.11 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.7 -57.93 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -166.73 104.69 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.87 137.78 35.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 m -52.37 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 p -141.26 -55.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.37 -176.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.03 -21.13 66.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.76 -68.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.14 -40.54 96.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD23 ' CD ' ' A' ' 26' ' ' ARG . 1.3 tm? -48.56 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -41.05 61.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 -62.17 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m -135.65 130.45 34.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' CD ' HD23 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -179.4 164.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 66.45 174.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.75 165.27 0.13 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.5 Cg_endo -74.99 135.83 19.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.99 -20.61 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.527 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.47 -51.44 69.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -74.98 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.6 mt -47.66 -53.62 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.03 -42.35 98.22 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.95 -53.73 30.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 38' ' ' CYS . . . -70.8 -64.79 2.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.488 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -40.94 -28.45 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' N ' ' C ' ' A' ' 36' ' ' GLY . 49.8 t -79.68 -56.38 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.05 -48.28 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.415 ' CG2' ' N ' ' A' ' 41' ' ' VAL . 32.2 m -68.55 -53.78 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 3.0 t -43.46 -70.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 45' ' ' ARG . . . -47.47 -56.64 6.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -43.68 77.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -58.59 -56.46 21.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.58 -55.72 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.13 -38.04 56.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -62.13 -47.38 84.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.118 . . . . 0.0 110.27 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.65 -61.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -60.55 172.58 0.86 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.7 p 50.22 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -125.75 78.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.19 81.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.43 103.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.039 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 t -170.2 34.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.4 tttp 59.62 40.51 20.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 59' ' ' ILE . 32.4 tpp -161.47 64.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.77 76.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 57' ' ' MET . 7.8 tp -107.08 73.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -44.34 -55.13 5.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -175.52 -46.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 4.3 tp -140.1 -47.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -43.96 104.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 t -173.46 168.27 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -126.81 -66.6 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 67' ' ' ALA . 12.6 p -56.13 -52.73 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' N ' ' CG1' ' A' ' 66' ' ' VAL . . . -60.28 -30.6 69.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.43 83.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.39 -41.6 98.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.3 63.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -53.59 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.11 -54.38 46.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.67 -49.14 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -61.89 -24.87 65.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.47 -58.03 3.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 0.784 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 77' ' ' MET . 45.2 pt -58.84 -44.68 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' ILE . 11.4 mtt -66.48 -32.08 73.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -68.23 -64.62 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 82' ' ' TYR . . . -49.94 -40.9 35.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.22 -63.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.16 -19.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.496 ' O ' ' CB ' ' A' ' 86' ' ' SER . 1.1 t80 -71.48 -60.79 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.5 p -62.47 -28.1 69.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -67.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -62.88 -23.67 67.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 28.5 t -73.37 -69.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.21 -34.38 56.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -45.69 -26.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 86' ' ' SER . 27.2 m -51.7 146.2 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 59.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.0 -50.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.7 tpp -103.2 120.62 41.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -164.05 -63.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -94.4 70.67 3.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 49.48 69.36 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 63.43 155.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -142.66 -90.08 0.13 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 65.07 119.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 pttm . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.496 0.189 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' ALA . 1.1 t -162.4 81.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.49 89.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -140.73 107.35 5.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.97 161.99 20.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.36 130.7 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.87 120.85 24.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 72.9 m95 64.36 104.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 108.018 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -120.57 91.69 47.13 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 142.03 27.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 75.46 3.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t0 54.93 103.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.59 -51.73 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -84.73 69.82 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.99 110.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.8 m -59.79 -82.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 108.31 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.96 -53.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 t 47.9 -174.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.039 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.8 -22.91 65.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -57.31 -68.05 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.67 -44.74 96.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -48.16 -42.36 29.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -76.16 -35.43 59.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -57.99 -69.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -41.05 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' N ' ' OG1' ' A' ' 25' ' ' THR . 0.6 OUTLIER 38.81 84.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -174.41 -150.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -48.28 174.31 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.03 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.77 -19.78 22.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -42.56 -51.18 11.93 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.99 -64.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' PRO . 67.1 mt -39.93 -51.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.6 -54.46 35.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tp -45.32 -60.23 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.72 -63.15 4.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.6 -19.75 6.8 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -56.66 4.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.75 -38.91 64.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.35 -66.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 t -44.2 -66.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.08 -58.06 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.26 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.573 ' CD1' ' HB3' ' A' ' 70' ' ' ALA . 6.3 t80 -41.39 -31.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.0 mt -50.82 -52.02 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -55.14 -59.37 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -55.27 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -61.84 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 53.28 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' LEU . 74.6 m -109.87 134.75 51.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' CD ' ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -68.2 137.15 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' N ' ' CD ' ' A' ' 52' ' ' ARG . . . 160.19 173.52 28.83 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.95 141.95 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.1 p 40.69 60.1 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -168.54 -60.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -115.5 179.94 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.521 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER 61.85 59.94 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.521 ' CD1' ' C ' ' A' ' 58' ' ' SER . 0.2 OUTLIER 39.01 70.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.568 ' O ' ' CD2' ' A' ' 60' ' ' HIS . 15.8 p-80 -39.85 108.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.424 ' CD1' HG21 ' A' ' 64' ' ' THR . 0.1 OUTLIER -172.96 -63.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 61' ' ' LEU . 5.5 pt 49.65 -179.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 46.8 40.75 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.614 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.424 HG21 ' CD1' ' A' ' 61' ' ' LEU . 14.9 t -173.69 166.14 4.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.06 -162.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ALA . 59.4 t -41.4 -51.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' VAL . . . -40.23 -66.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -46.88 -54.04 10.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -45.56 -67.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.573 ' HB3' ' CD1' ' A' ' 44' ' ' TYR . . . -51.97 -22.46 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -72.11 -50.36 28.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.5 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 70' ' ' ALA . 27.6 m -53.79 -34.08 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.04 -69.15 1.36 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -45.94 -55.07 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.9 mt -43.14 -70.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mmt -53.51 -19.95 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.469 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -66.88 -65.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.24 -38.53 90.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' O ' ' OG1' ' A' ' 83' ' ' THR . . . -59.93 -69.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 0.771 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' TYR . 21.9 t -49.25 -57.95 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.1 t80 -37.51 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 80' ' ' ALA . 66.5 p -54.17 -49.24 69.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -70.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.481 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 4.2 t80 -53.75 -59.63 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' TYR . 72.2 m -39.11 -65.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' VAL . 4.7 t0 -50.48 -50.16 53.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 2.1 t80 -37.5 -33.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' ASP . 63.7 t -46.78 132.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 58.0 4.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.02 81.34 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -173.49 174.08 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -131.14 148.68 52.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -83.22 51.42 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -53.42 6.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 66.57 71.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.69 -150.35 18.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 52.01 101.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.498 0.19 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.08 108.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -168.37 -59.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.456 ' C ' ' CD ' ' A' ' 5' ' ' ARG . 16.5 m120 62.44 93.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.456 ' CD ' ' C ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER 40.86 -162.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 175.3 124.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -166.77 136.42 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -161.59 148.44 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 108.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.0 t -143.46 92.02 6.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.44 40.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.75 2.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.66 98.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -109.09 169.75 8.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.63 90.11 7.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.44 168.54 16.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.6 p -113.95 -40.53 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 108.32 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.9 -51.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t 51.99 175.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.029 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.01 -20.94 66.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -60.21 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.09 -49.06 75.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -66.27 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -50.98 -39.04 54.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.324 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -53.94 35.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -149.98 123.86 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.2 173.54 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 65.95 168.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.49 171.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.65 43.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.2 tt -100.09 -19.36 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.68 -48.92 58.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.95 -80.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.5 1.79 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' PRO . 43.8 pt -38.37 -44.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -65.38 -46.83 84.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' PRO . 10.5 tp -50.6 -56.84 9.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.25 -63.84 4.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.505 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -48.8 -22.3 2.77 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.9 t -78.11 -61.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.5 -53.12 3.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 11.5 p -61.26 -54.54 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 2.3 t -44.54 -70.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.25 -38.96 5.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 40' ' ' VAL . . . -50.13 -61.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -54.38 -45.24 72.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 mt -44.03 -61.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -38.25 -59.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -56.72 13.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tt -42.89 -54.59 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.0 151.83 40.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -178.49 72.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.36 146.51 28.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.43 -86.99 0.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.05 152.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 m -112.05 -54.46 2.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -137.96 -63.29 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -115.38 -34.82 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -171.44 157.45 4.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -116.64 -46.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -54.85 12.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.9 mt -79.47 129.14 34.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.8 mm -134.49 99.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 48.05 50.96 15.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.588 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.418 HG23 ' CB ' ' A' ' 67' ' ' ALA . 4.5 t -84.48 146.89 27.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.459 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.2 ptt-85 -90.85 -38.14 13.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -21.78 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' CB ' HG23 ' A' ' 64' ' ' THR . . . -73.22 -68.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.55 -35.46 13.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -64.81 -63.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.35 -20.09 10.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -69.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 108.233 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.99 -57.71 10.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.5 t -52.4 -56.21 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.14 -26.18 34.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.586 1.179 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.12 -59.09 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.4 pt -58.99 -29.21 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.64 -47.12 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.57 -42.21 98.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.64 -58.05 15.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.81 -38.74 76.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -58.48 -67.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.443 ' O ' ' CB ' ' A' ' 86' ' ' SER . 1.1 t80 -51.95 -36.94 51.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -55.08 -58.1 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -66.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -37.8 -51.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 9.0 t -68.14 -47.67 67.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.3 OUTLIER -40.42 -44.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -37.77 -55.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.7 p -80.03 140.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -128.81 -79.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -154.32 36.98 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.066 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.446 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -153.62 164.78 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 92' ' ' MET . . . 79.66 61.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 58.53 70.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -144.43 -55.09 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.38 105.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.71 -157.43 32.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.82 136.66 51.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.779 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.35 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.483 0.182 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m 62.14 113.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.997 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 52.1 90.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.81 154.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.28 102.54 4.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.4 122.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -62.09 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.81 114.2 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 107.978 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.466 ' CG2' ' HD2' ' A' ' 10' ' ' PRO . 2.5 p -121.85 142.85 37.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 9' ' ' VAL . 18.4 Cg_endo -74.93 154.88 43.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 158.65 42.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.793 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -125.12 113.74 18.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.68 148.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -109.48 84.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.75 120.61 28.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.23 -57.86 10.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.5 t -151.19 -77.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.56 170.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.7 -27.51 7.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -67.39 0.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -42.81 89.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -39.64 41.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.13 -38.56 35.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -53.0 -44.28 67.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.3 m -44.32 -94.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.4 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' SER . 4.7 tp10 -174.32 -60.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.332 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -44.56 168.31 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -174.6 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.759 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -93.99 -19.62 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -44.98 -50.24 26.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -75.03 -69.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' PRO . 15.7 mt -39.42 -36.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.01 -49.62 21.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -47.45 -46.68 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.16 -59.78 7.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -51.51 -20.25 5.26 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.21 -57.66 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.32 -45.16 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 41' ' ' VAL . 14.0 p -70.22 -46.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 2.3 t -51.94 -70.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.55 -49.49 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.88 -56.64 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.22 -53.89 46.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.31 -60.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.6 mm -55.39 -56.63 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.8 -56.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -57.89 -47.2 83.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.42 -65.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -89.8 112.93 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.6 56.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.51 130.29 42.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.14 -66.16 0.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -51.79 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.965 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m 57.54 51.08 10.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.59 101.29 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.475 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.0 OUTLIER 70.5 -58.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 57' ' ' MET . 0.4 OUTLIER 83.94 -55.84 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.983 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.75 137.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -75.08 -24.55 58.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.626 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.9 mp -51.17 -52.34 45.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.473 ' O ' ' CD2' ' A' ' 63' ' ' HIS . 46.1 mt 53.28 76.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 0.6 OUTLIER 58.8 108.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.4 ' N ' ' HB3' ' A' ' 68' ' ' ALA . 0.9 OUTLIER -134.55 -53.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 1.3 ttp180 -155.36 -55.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.18 -53.79 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.77 -57.24 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.4 ' HB3' ' N ' ' A' ' 64' ' ' THR . . . -40.72 -42.71 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 19.3 tt0 -73.33 -60.01 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.32 -33.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.56 -52.46 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -50.48 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 74' ' ' GLY . 17.9 m -59.81 -49.14 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -39.59 -52.49 3.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.99 -57.37 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.2 mt -40.72 -70.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -54.78 32.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 2.2 tp -40.24 -39.95 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.35 -52.58 8.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.79 -53.66 11.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 0.778 . . . . 0.0 109.373 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 82' ' ' TYR . 34.4 m -60.83 -50.8 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -39.32 -54.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.5 m -67.59 -37.58 82.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -69.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.38 -38.37 74.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 15.0 t -55.86 -61.22 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -34.07 72.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -49.67 -21.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.8 p -56.05 137.17 17.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -85.45 58.43 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.52 73.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -169.77 143.7 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -155.13 60.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 65.89 84.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.48 -56.42 21.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.55 -62.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.23 127.45 37.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.59 166.32 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 110.263 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.473 0.178 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.95 -65.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.61 161.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.7 t30 179.1 95.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.01 122.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.49 90.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.243 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.547 ' O ' ' CG ' ' A' ' 7' ' ' TRP . 36.5 t90 -145.68 41.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.028 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.525 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 3.3 p-90 -160.1 170.03 22.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 8' ' ' TRP . 0.9 OUTLIER 162.87 -51.64 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.07 148.66 35.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -68.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.01 179.91 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.91 -55.07 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -154.34 -59.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 59.87 55.58 3.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.6 m 60.98 -99.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.318 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.6 -46.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.99 174.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -24.44 14.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -65.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.4 -45.76 78.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -53.27 3.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -72.02 -40.34 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -49.42 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.37 122.02 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.87 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -178.33 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.4 167.71 8.86 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 171.78 17.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.94 -19.91 18.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.517 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -43.37 -50.9 15.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.04 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' PRO . 25.4 mm -40.29 -38.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.7 -50.24 15.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.46 -56.86 6.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 0.796 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 38' ' ' CYS . . . -62.83 -65.42 3.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -41.34 -27.46 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 39' ' ' LEU . 8.8 t -76.01 -61.64 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -40.06 -40.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.2 t -70.27 -51.57 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 37' ' ' GLY . 41.4 t -53.07 -70.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.83 -48.67 15.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 39' ' ' LEU . . . -46.8 -52.98 12.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -66.82 -31.02 71.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -60.67 -60.34 3.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.45 -52.65 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -44.74 -52.88 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -55.24 37.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.4 tt -41.33 -54.25 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.795 HH12 HH21 ' A' ' 52' ' ' ARG . 0.1 OUTLIER -76.53 129.09 35.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.64 164.09 13.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.795 HH21 HH12 ' A' ' 50' ' ' ARG . 3.1 mmp_? -138.82 -66.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.06 177.6 40.46 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.454 1.096 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.9 m -134.84 141.42 46.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -95.79 -42.84 8.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -166.67 94.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.76 49.67 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.4 p 66.91 -179.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.3 mt 62.41 152.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -175.92 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.56 -74.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 30.3 mm -111.27 158.41 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -106.57 68.02 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.6 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.9 p -151.87 -168.25 3.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -90.04 54.89 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.66 -63.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.74 96.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.69 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' CYS . 37.4 mt-30 -48.2 -64.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . -40.46 -32.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.403 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -69.64 -63.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 108.294 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.98 -70.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -46.53 -57.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.99 -51.36 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.02 95.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.2 mt -54.46 -66.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.487 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 20.2 ptm -54.89 -31.62 60.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 1.7 tm? -60.72 -57.42 12.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.14 -55.18 31.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.9 -68.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 77' ' ' MET . 83.5 t -45.05 -61.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' LEU . 35.0 t80 -38.19 -55.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 m -54.36 -41.35 69.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -67.66 -70.07 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -44.36 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 m -65.04 -60.37 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -44.4 -38.31 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -40.42 -44.86 2.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p -42.36 124.16 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt 64.93 -80.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.45 -66.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 72.35 120.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.31 -54.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.95 45.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -126.51 -47.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.76 138.29 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.12 -142.5 0.12 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 42.87 80.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.546 0.213 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.62 166.08 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.041 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.73 170.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.11 111.87 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 168.14 9.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 58.28 159.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -160.26 122.76 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 108.014 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -50.84 142.62 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 107.993 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.3 154.06 88.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 151.25 39.54 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 150.54 38.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.23 -76.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -171.42 -66.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -169.87 85.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.314 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.63 150.78 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -61.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 108.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 21' ' ' LEU . 62.2 t -129.92 -65.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.92 174.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -24.4 66.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -63.68 -66.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 1.9 tt -53.97 -47.48 71.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.445 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -44.31 -60.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -42.8 68.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -43.33 64.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 m -64.19 151.1 44.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -170.06 84.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 43.56 -162.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.25 135.99 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.37 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.0 mm? -100.06 -19.04 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.03 -49.56 39.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -74.99 -79.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.5 mt -37.89 -32.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -70.25 -53.39 13.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -51.05 -41.65 60.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.06 -69.45 1.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.88 -19.87 5.59 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.72 -69.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tt -41.77 -37.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.47 -62.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 t -49.19 -66.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.56 -59.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -40.86 -59.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.74 -48.73 66.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -56.9 10.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.432 ' CG2' ' O ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -60.63 -29.85 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.57 -47.17 82.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -72.23 -46.62 55.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -66.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.54 172.33 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.15 172.26 16.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.64 -55.4 2.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.53 77.66 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 0.0 111.047 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.76 -59.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.995 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.5 m -52.66 -39.61 62.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt 55.43 41.61 30.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.1 mtm 56.67 54.99 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m 61.68 -177.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.959 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 tp -79.86 -26.03 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -110.35 -65.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.83 -74.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -167.27 129.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -176.4 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.603 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.5 p 39.66 -149.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.29 -42.02 2.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.02 -54.85 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.73 -30.79 71.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.95 66.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -59.39 -42.62 92.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.11 -27.19 66.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.98 -40.64 71.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.96 -69.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.7 p -52.42 -30.26 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.89 -49.81 39.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.95 76.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.7 mt -70.41 -69.58 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 tpt -41.61 -60.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -59.77 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.44 -63.65 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.95 -55.19 21.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' TYR . 72.7 t -43.96 -69.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -37.51 -55.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -49.11 -46.84 45.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' ASP . 3.8 mtt -68.71 -69.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -37.72 -37.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 m -78.91 -45.89 19.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' MET . 0.2 OUTLIER -54.18 -32.4 55.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -37.03 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 87' ' ' ASP . 9.4 p -59.63 123.43 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -41.37 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.94 52.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 59.46 120.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -149.72 -56.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -149.33 78.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.334 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -143.3 -55.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.342 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.51 -64.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.37 135.94 12.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -86.91 116.41 24.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.48 0.181 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 m -149.65 119.63 7.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.21 120.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.08 160.54 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.58 107.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.64 91.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -165.08 66.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.48 129.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.9 m -124.53 75.79 62.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.48 3.8 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.35 18.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.479 1.779 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.21 -53.76 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.78 -56.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.56 -57.44 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.02 93.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.66 -65.05 0.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 108.312 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.35 -79.14 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.44 177.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.049 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.86 -25.73 43.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -56.02 -59.72 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.42 -50.92 65.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.51 -40.81 1.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -50.73 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -30.05 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -38.87 148.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.18 -167.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -135.0 62.75 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.48 168.6 8.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.03 139.27 24.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.44 ' HA ' ' CG2' ' A' ' 33' ' ' ILE . 1.1 pp -99.43 -19.98 16.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.29 -49.83 79.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -75.01 -52.29 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.44 ' CG2' ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -49.75 -41.59 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -68.63 -56.79 8.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.3 -62.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.17 -62.39 5.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.03 -21.91 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -62.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 8.0 mp -45.41 -37.69 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.5 -62.32 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 70.6 t -49.27 -70.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.51 -58.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 39' ' ' LEU . . . -41.59 -60.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -52.11 45.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -48.61 -60.05 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' LEU . 35.9 mm -52.87 -64.59 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.93 -41.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -67.48 -46.94 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' ILE . 3.0 tt -63.77 -70.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.29 161.03 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.95 150.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -121.7 -42.0 2.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.55 -155.08 28.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.99 137.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 t 41.44 71.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.392 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt 65.91 145.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.0 ttm -118.25 -56.03 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.4 m 61.42 147.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.531 HG23 ' CD2' ' A' ' 60' ' ' HIS . 9.4 tt -83.29 -23.67 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CD2' HG23 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -179.85 51.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.58 141.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.7 mt -128.69 -72.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.427 ' CD2' ' H ' ' A' ' 64' ' ' THR . 1.7 p80 -147.85 -55.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.609 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.427 ' H ' ' CD2' ' A' ' 63' ' ' HIS . 3.6 m 47.65 -166.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.64 -45.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 67' ' ' ALA . 4.0 p -70.22 -48.02 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.448 ' N ' ' CG1' ' A' ' 66' ' ' VAL . . . -64.22 -40.48 96.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.41 58.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.33 89.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.43 -26.86 68.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -55.46 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.37 -65.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.2 t -50.52 -61.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.14 -56.12 4.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.09 -69.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.9 mt -40.72 -69.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.48 -37.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -69.65 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.74 -49.13 1.9 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.95 -68.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' MET . 9.2 t -41.02 -69.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.0 -55.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.2 m -49.45 -42.36 42.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -72.88 -68.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 8.5 t80 -37.43 -47.56 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.098 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.447 ' C ' ' N ' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -69.61 -55.61 9.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.964 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 88' ' ' TYR . 10.6 t0 -41.61 -28.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.447 ' N ' ' C ' ' A' ' 86' ' ' SER . 90.7 t80 -36.58 -38.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -41.1 -82.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.7 tttp 79.97 59.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.19 21.59 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.19 176.04 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -176.82 62.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -63.87 -42.47 97.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.71 69.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 56.99 79.06 0.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -54.25 -75.73 0.22 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.26 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.659 HG12 ' N ' ' A' ' 18' ' ' SER . 17.2 t -82.1 -88.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.659 ' N ' HG12 ' A' ' 17' ' ' VAL . 19.8 m 59.97 171.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' HA ' ' CB ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -51.35 -26.06 7.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -56.39 -68.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.969 ' O ' HG23 ' A' ' 25' ' ' THR . 0.5 OUTLIER -64.39 -21.07 66.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 19' ' ' GLU . 8.4 tp -60.29 -52.23 66.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -27.3 47.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.468 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.53 -46.73 83.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.969 HG23 ' O ' ' A' ' 21' ' ' LEU . 68.6 p -53.33 -172.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -169.97 -86.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 28' ' ' SER . 4.7 pt-20 179.99 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -39.08 156.63 0.13 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.13 7.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -97.13 -19.68 18.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.59 -50.16 52.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.6 Cg_endo -74.92 -74.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.77 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' PRO . 38.6 mt -39.12 -46.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -60.43 -61.25 7.29 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 tp -40.83 -59.08 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.6 -60.33 5.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.12 -19.76 25.09 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -45.96 35.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 4.3 tp -62.67 -41.18 98.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -67.79 -58.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' ALA . 11.2 t -52.81 -70.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -40.39 -53.32 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -46.79 -61.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.531 ' CG ' ' HB1' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -53.17 -31.07 40.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -66.43 -65.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 pt -49.77 -30.98 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -65.17 -58.78 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -57.3 -46.46 83.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -55.67 -52.05 65.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.41 -32.28 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.77 -49.7 36.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.4 91.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.65 -44.92 88.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.531 ' HB1' ' CG ' ' A' ' 44' ' ' TYR . . . -65.92 -28.66 69.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -59.31 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -59.95 -66.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -47.51 -58.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.02 -44.7 9.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -57.51 -56.15 25.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.5 mt -57.07 -69.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.32 -67.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 79' ' ' GLY . 5.3 tt -42.65 -63.78 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.76 -60.32 1.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.59 -62.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' MET . 56.3 t -40.49 -68.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -37.76 -58.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.8 m -47.29 -41.49 19.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' VAL . 18.9 mmt -73.27 -68.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -36.88 -44.51 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.14 -50.52 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.51 -26.96 3.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -38.66 -34.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 18' ' ' SER . 22.1 m -132.96 -48.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.434 ' N ' HG23 ' A' ' 17' ' ' VAL . 7.9 t 57.55 177.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.07 -21.32 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.06 -70.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HB3' ' CA ' ' A' ' 17' ' ' VAL . 4.8 tt -56.72 -39.9 74.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.64 -63.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -55.43 -31.97 62.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -56.44 -58.41 8.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -114.0 113.01 24.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 176.87 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.48 -65.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.11 169.82 17.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.59 30.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.807 ' C ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -96.16 -19.47 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.92 -51.12 41.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -40.28 -41.36 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.85 -56.0 14.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -46.72 -61.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.35 -62.84 4.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -51.83 -20.17 5.81 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -69.62 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -40.33 -40.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.483 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 58.7 t -67.68 -52.79 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 37' ' ' GLY . 15.5 t -53.9 -68.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.62 -51.28 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -43.17 -64.31 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -49.94 -60.09 3.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -65.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.0 mt -43.01 -58.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -41.52 -48.53 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -59.29 -47.12 86.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.51 ' C ' HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -54.55 -60.29 3.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.1 ptt180 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.8 t -45.79 -61.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.06 -45.95 43.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 65' ' ' ARG . . . -53.54 -47.62 69.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -60.94 -59.33 5.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.51 -27.84 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.92 -51.45 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.67 -68.28 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 69' ' ' GLN . 10.4 m -50.37 -43.08 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.576 ' O ' HD12 ' A' ' 78' ' ' LEU . . . -60.68 -33.84 84.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.0 -65.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -44.54 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.45 ' O ' HG22 ' A' ' 81' ' ' VAL . 6.3 mtt -61.46 -59.61 4.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -40.94 -45.67 2.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.19 -40.92 95.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -62.66 -64.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 77' ' ' MET . 30.9 m -49.75 -38.46 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 78' ' ' LEU . 1.8 m-85 -58.59 -57.82 11.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.0 m -55.13 -39.02 68.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -69.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -53.23 -19.87 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.67 ' O ' HG12 ' A' ' 89' ' ' VAL . 11.8 m -80.12 -70.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.7 -19.67 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.549 ' CD1' ' C ' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -54.47 -19.77 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.67 HG12 ' O ' ' A' ' 86' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.468 ' CG1' HD23 ' A' ' 22' ' ' LEU . 72.3 t -116.85 -84.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t 59.77 170.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -21.25 61.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -65.63 -59.9 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 21' ' ' LEU . 1.3 tm? -63.67 -40.18 96.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -54.18 -48.47 70.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -64.05 -47.14 81.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.75 -43.27 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.3 m -67.0 161.28 24.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLU . 2.6 ttp180 -176.32 83.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 44.84 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.78 147.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.758 HD13 ' HG2' ' A' ' 84' ' ' MET . 0.6 OUTLIER -100.0 -19.33 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -44.91 -50.06 26.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.03 -75.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.543 1.812 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' PRO . 43.6 mm -38.39 -51.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -60.62 -48.77 84.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 4.6 tp -47.61 -61.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.71 -62.38 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.657 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -52.48 -19.65 6.47 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 4.2 t -78.32 -44.7 24.52 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.711 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -65.05 -30.38 71.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.1 t -78.42 -65.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 37' ' ' GLY . 7.3 p -48.3 -42.68 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -69.33 -42.43 75.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -54.37 -45.47 72.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -66.5 -44.88 81.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -54.1 47.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 mt -55.53 -56.51 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -42.28 -47.84 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -57.63 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -41.48 -57.95 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.3 -70.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.61 -40.81 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.94 -51.64 69.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.781 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.9 mt-30 -62.24 -64.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -46.79 -30.1 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.62 -49.04 62.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 108.315 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.25 -69.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 69' ' ' GLN . 16.4 m -48.34 -32.92 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.36 -58.48 8.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.9 -58.25 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 77' ' ' MET . 8.3 tp -51.62 -50.67 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.585 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.2 mtp -51.45 -45.0 62.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -61.57 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.86 -59.91 6.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.6 -68.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 77' ' ' MET . 74.9 t -39.89 -70.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 86' ' ' SER . 3.6 t80 -37.45 -50.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.6 m -55.35 -49.69 71.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.758 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.31 -70.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -43.19 -38.51 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.665 ' O ' HG23 ' A' ' 89' ' ' VAL . 73.2 m -71.83 -44.23 64.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -53.46 -46.99 70.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -29.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 86' ' ' SER . 72.6 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.451 ' C ' HG23 ' A' ' 17' ' ' VAL . 11.6 p . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.746 HG13 ' HB3' ' A' ' 21' ' ' LEU . 79.4 t -155.09 -69.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m 61.29 171.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.029 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.25 -22.8 4.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -60.43 -69.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.913 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -63.15 -24.96 68.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -68.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -40.07 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -44.51 -64.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.913 HG22 ' O ' ' A' ' 21' ' ' LEU . 1.7 t -85.08 108.84 17.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -75.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.3 -80.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER 53.11 178.62 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 133.69 16.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.553 1.817 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.9 pp -95.5 -19.91 19.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.53 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.65 -51.05 73.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.5 Cg_endo -75.02 -71.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.3 mt -42.85 -35.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . -70.79 -48.55 33.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -47.84 79.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.27 -69.89 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -51.77 -19.85 5.37 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.5 t -75.29 -46.32 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -37.24 86.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.03 -70.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 42' ' ' ALA . 9.5 p -47.14 -53.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.526 ' N ' HG13 ' A' ' 41' ' ' VAL . . . -44.59 -54.39 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.82 -56.42 12.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -50.5 -37.88 41.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -67.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mt -44.53 -57.23 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -43.34 -56.55 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -56.24 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -60.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 32.3 mtm-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.1 t -49.86 -49.41 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.78 78.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . . . -51.2 -60.76 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.793 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.1 tt0 -50.33 -59.18 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -49.55 -28.97 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -49.79 55.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.57 -69.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 69' ' ' GLN . 21.2 m -48.89 -32.56 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.03 -69.78 1.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.18 -43.27 1.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.776 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.8 mm -58.99 -68.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.2 mmm -46.34 -60.44 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -51.94 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.72 -43.88 91.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -61.41 -64.65 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.76 -37.6 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.18 -45.16 95.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -61.7 -47.73 83.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.0 mtm -66.78 -70.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.436 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 38.8 t80 -39.88 -46.74 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.3 t -68.14 -45.77 72.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' VAL . 11.2 t0 -53.07 -27.17 18.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 78.4 t80 -37.49 -33.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.714 HG13 ' HB3' ' A' ' 21' ' ' LEU . 70.8 t -122.71 -48.85 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 t 53.49 173.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.91 -20.04 65.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -65.39 -63.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.714 ' HB3' HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -62.13 -42.06 98.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -48.96 -59.64 3.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -39.71 82.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -46.74 -56.73 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 m -157.98 134.6 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -178.37 81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.59 169.56 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.38 166.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.957 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.03 32.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -99.17 -19.73 17.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.527 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.58 -50.87 63.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' PRO . 22.8 mm -39.99 -37.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -66.76 -54.24 23.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.2 tm? -47.52 -48.8 27.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.73 -67.5 2.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.797 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -51.18 -19.88 4.29 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.9 t -73.14 -70.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 tt -41.81 -46.0 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 41.9 t -59.44 -51.56 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 37' ' ' GLY . 24.6 t -56.6 -67.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' CD ' ' A' ' 45' ' ' ARG . . . -39.94 -37.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -65.17 -54.03 35.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' VAL . 34.0 t80 -53.06 -61.57 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' CD ' ' HA ' ' A' ' 42' ' ' ALA . 13.6 ptt180 -51.76 -38.44 55.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 47' ' ' TYR . 4.2 mm -62.77 -71.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.519 ' N ' HG22 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -37.74 -44.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 ttp85 -62.34 -58.94 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 tp -50.68 -63.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.0 t -61.77 -69.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.73 -56.57 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.83 -67.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.817 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -46.4 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.431 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -41.06 -31.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -69.6 -55.57 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -60.21 -66.92 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 69' ' ' GLN . 11.4 m -50.59 -33.82 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -62.6 -47.65 87.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.7 -56.97 14.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.71 -68.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' LEU . 6.5 ttm -45.09 -64.09 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 28.1 tp -40.33 -66.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.34 -50.19 2.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.19 -66.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 84' ' ' MET . 58.7 t -40.51 -70.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -38.5 -60.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.9 m -46.41 -39.32 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 81' ' ' VAL . 5.3 tpp -73.0 -67.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -36.99 -39.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.829 ' O ' HG22 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -79.7 -58.93 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.035 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -42.08 -28.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.443 ' N ' ' C ' ' A' ' 86' ' ' SER . 8.3 t80 -35.77 -37.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 86' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.85 HG23 ' HB3' ' A' ' 21' ' ' LEU . 2.9 p -150.61 -58.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.587 ' H ' HG13 ' A' ' 17' ' ' VAL . 60.7 p 49.23 -174.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.26 -21.41 66.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -60.6 -69.43 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.85 ' HB3' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -61.55 -46.86 88.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tp -45.12 -68.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -46.5 44.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -42.74 -52.56 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -149.04 125.95 11.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 1.5 ptt180 -179.68 72.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -176.22 170.8 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.24 169.15 0.11 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.45 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.0 146.85 33.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -99.43 -19.92 16.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -52.3 -50.12 81.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.02 -70.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.1 mt -43.85 -32.19 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -71.79 -52.93 10.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -51.21 -47.6 62.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.19 -69.64 1.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -46.0 -24.03 1.27 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . 49.6 t -72.61 -67.87 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' CYS . 0.4 OUTLIER -40.41 -40.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 77.1 t -68.94 -57.14 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 37' ' ' GLY . 5.4 t -48.84 -66.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.95 -54.59 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -40.73 -60.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -55.87 -48.96 74.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -49.03 -65.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.0 mt -46.62 -62.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -38.43 -50.87 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -54.45 44.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.26 -65.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.489 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 5.5 mmt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 68.6 t -50.86 -40.29 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.24 -44.88 86.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 65' ' ' ARG . . . -57.24 -68.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -49.65 -32.94 14.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 66' ' ' VAL . . . -66.93 -34.76 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.77 -56.26 7.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -69.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -49.1 -61.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.37 -65.75 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.99 -55.66 2.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.2 mt -54.15 -69.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -38.68 -68.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' MET . 1.1 mp -39.85 -46.32 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.38 -69.66 1.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.84 -60.88 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.7 t -40.75 -66.05 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -37.92 -57.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -48.59 -64.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' ASP . 2.5 mmt -52.79 -70.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.453 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 2.6 t80 -36.84 -62.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -39.9 60.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 84' ' ' MET . 3.8 t70 -55.13 -42.2 72.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.453 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 42.6 t80 -37.68 -33.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.534 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -159.46 -46.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.12 172.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -28.07 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -55.1 -59.42 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 17' ' ' VAL . 3.0 mm? -69.38 -42.85 74.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -43.21 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -80.01 -55.58 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.4 -64.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.7 p -38.63 106.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -60.07 -173.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.168 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -109.75 41.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.61 170.83 4.95 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 158.43 42.21 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.834 HD22 ' C ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -99.51 -19.53 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.511 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -50.76 -51.59 64.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 -68.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.5 mm -42.24 -42.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -69.15 -43.51 71.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -56.1 20.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.69 -61.84 7.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -52.64 -20.12 7.34 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.2 m -78.94 -45.07 21.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -31.77 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.3 t -75.12 -70.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 37' ' ' GLY . 8.1 p -44.79 -49.41 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -56.01 -62.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.81 -49.31 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -44.95 96.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -55.01 -52.83 61.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mt -53.73 -55.25 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -45.69 -46.38 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -54.54 42.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.93 -53.71 5.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.53 -33.27 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.22 -52.01 46.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.76 -56.85 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -46.8 -52.64 13.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.39 -25.89 68.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.5 t -63.78 -51.35 65.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.47 -69.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.7 t -41.13 -46.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.45 -45.49 90.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 71' ' ' CYS . . . -50.17 -55.49 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.5 mt -59.43 -66.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.596 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -38.56 -34.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.01 -62.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.91 -54.91 26.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.7 -65.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 77' ' ' MET . 25.5 t -41.15 -57.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.36 -59.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -27.54 65.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -71.9 -70.05 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -56.57 -22.38 33.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.691 ' O ' HG13 ' A' ' 89' ' ' VAL . 30.1 t -78.19 -66.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.71 -28.63 49.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -50.37 -23.49 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 86' ' ' SER . 27.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 18' ' ' SER . 16.0 m -144.43 -49.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.4 ' N ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER 54.24 176.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -57.51 -26.87 61.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -57.55 -69.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.666 ' O ' HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -57.06 -32.95 66.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -65.96 -24.23 66.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -60.96 -69.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 21' ' ' LEU . 1.6 t -56.11 110.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 -59.96 179.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.59 61.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -115.29 178.58 0.94 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.95 147.67 34.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.4 pp -99.26 -19.93 16.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.524 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -50.15 -51.6 61.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.1 Cg_endo -75.01 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.5 mt -40.66 -35.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.72 -46.28 31.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -54.2 -50.12 67.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.48 -65.63 2.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.572 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -49.45 -21.58 3.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . 13.4 t -75.2 -68.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' CYS . 1.9 mp -40.33 -39.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.76 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 37' ' ' GLY . 32.1 t -49.33 -65.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -40.09 -57.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.87 -63.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.81 -53.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -57.19 -63.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.8 mt -42.63 -64.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -41.22 -46.86 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -50.87 68.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -51.25 70.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 m -46.65 -45.65 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.55 -59.08 5.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.16 -55.07 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -64.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.53 -31.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -55.5 7.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.32 -68.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.3 t -49.66 -50.04 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -50.49 -42.62 43.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.08 -69.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.8 mm -42.15 -68.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' LEU . 2.8 tpt -41.93 -64.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 7.7 tp -40.53 -66.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.82 -48.57 1.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.82 -57.1 14.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' MET . 79.4 t -48.11 -68.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -37.74 -53.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -50.59 -45.83 57.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' VAL . 8.8 mtt -71.5 -69.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -37.68 -37.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.3 t -77.89 -49.77 13.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -49.92 -26.69 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' ASP . 31.7 t80 -37.58 -39.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.2 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.419 ' CG1' ' HG ' ' A' ' 22' ' ' LEU . 24.7 t -147.52 -74.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.579 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 61.39 178.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -19.82 52.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -62.98 -70.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -45.14 84.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 18' ' ' SER . 3.6 mt -50.99 -69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -42.21 -50.52 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -57.45 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -130.79 124.08 30.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.76 73.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.63 160.77 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.67 165.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.05 41.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.659 ' HA ' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -96.41 -19.85 18.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.561 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.74 -49.34 73.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.0 -75.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -40.49 -31.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -73.59 -48.79 16.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -55.52 -51.79 65.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.17 -65.5 3.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 1.0 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -52.22 -19.69 6.05 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.7 m -76.1 -49.02 18.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -64.61 -25.76 68.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.2 t -74.3 -69.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.0 HG12 ' O ' ' A' ' 37' ' ' GLY . 3.9 p -51.63 -40.37 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -65.8 -45.96 80.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -51.22 -47.67 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -63.71 -47.19 82.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -53.1 -57.49 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.38 -63.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.15 -53.0 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -50.54 -55.89 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -65.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.9 t -48.74 -62.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.98 -61.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.65 -57.79 2.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -49.37 -62.69 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.3 -29.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -57.69 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.97 -68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -50.24 -59.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -41.38 -45.44 4.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 -61.36 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -50.42 -70.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 ttt -40.48 -60.11 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -44.44 -65.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.53 -53.28 1.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.31 78.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 78' ' ' LEU . 70.2 t -54.46 -61.94 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -44.13 -45.36 8.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -56.1 -52.31 64.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -70.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -36.77 -53.4 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.1 t -59.66 -50.32 74.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -48.42 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -38.96 -43.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.0 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.496 ' O ' HD11 ' A' ' 76' ' ' ILE . 1.8 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.0 t -134.82 -78.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.5 m 62.58 170.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -53.11 -23.78 8.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -61.59 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.15 -44.67 87.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.37 -51.2 4.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -52.5 22.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.63 -67.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.5 m -39.82 101.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -179.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -78.7 -177.01 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.482 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER 79.59 176.88 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.04 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.921 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -100.09 -19.48 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.907 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -46.48 -49.7 43.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.04 -70.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' PRO . 47.3 mt -39.76 -37.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -69.43 -51.2 27.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.32 -50.67 38.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.91 -64.95 3.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.462 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -51.91 -19.71 5.49 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.68 -66.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.648 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -52.95 -23.69 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.8 t -73.32 -70.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 42' ' ' ALA . 12.6 p -50.51 -54.09 10.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.543 ' N ' HG13 ' A' ' 41' ' ' VAL . . . -50.65 -58.76 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -40.73 -48.53 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.5 -47.16 82.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.61 -52.21 14.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.875 HD13 ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -67.74 -35.46 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -58.01 -42.45 85.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -77.14 -51.38 11.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.4 -49.74 3.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 67' ' ' ALA . 33.2 m -60.55 -52.12 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.506 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -66.16 -50.18 64.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.58 13.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.574 ' O ' HG22 ' A' ' 73' ' ' VAL . 3.3 mt-30 -61.74 -66.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -40.11 -30.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -70.15 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.302 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.05 -64.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 69' ' ' GLN . 16.4 m -52.97 -33.3 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.36 -32.02 78.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.65 -55.77 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.496 HD11 ' O ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -59.58 -35.34 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 73' ' ' VAL . 4.5 mmt -72.5 -66.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 78' ' ' LEU . 1.4 tm? -39.72 -42.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' TYR . . . -66.66 -58.78 7.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 83' ' ' THR . . . -44.04 -51.63 7.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 78' ' ' LEU . 12.0 p -62.91 -35.93 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.8 t80 -53.29 -59.64 4.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 80' ' ' ALA . 14.1 t -62.7 -37.11 85.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -70.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.423 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 87.1 t80 -54.61 -31.19 56.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -64.85 -70.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.6 -24.12 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.423 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 2.3 t80 -40.92 -30.98 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.348 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.639 ' O ' HD13 ' A' ' 21' ' ' LEU . 47.3 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 21' ' ' LEU . 85.4 t -100.8 -82.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 177.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.028 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 22' ' ' LEU . 38.8 mt-10 -54.89 -27.27 41.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -59.29 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -65.56 -52.31 53.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 19' ' ' GLU . 13.9 mt -40.41 -36.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -79.75 -57.11 3.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.27 -62.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 t -54.39 -168.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.99 -176.87 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 28' ' ' SER . 14.1 pt-20 -67.84 -50.53 56.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' ' CG ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -41.52 162.27 0.13 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 pp -95.66 -19.63 19.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -42.24 -51.19 11.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -53.25 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.0 mt -46.39 -40.95 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.12 -43.64 32.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.91 -55.98 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.47 -63.36 4.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.643 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -46.57 -23.97 1.56 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.3 t -77.32 -61.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.94 -55.05 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.846 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.2 p -59.3 -54.96 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 37' ' ' GLY . 2.4 t -44.14 -69.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.507 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -45.26 -37.07 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.846 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -52.83 -57.22 10.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -64.08 -42.35 96.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.2 -46.0 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.14 -61.61 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -45.73 82.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.95 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 67' ' ' ALA . 17.3 m -40.64 -50.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -61.46 -59.73 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -42.39 -66.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 71' ' ' CYS . 51.9 tt0 -45.3 -68.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -70.05 -70.2 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.673 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -48.81 -62.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 75' ' ' ALA . 41.9 t -50.58 -66.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.366 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -42.23 -27.23 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -73.92 -70.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 77' ' ' MET . 0.5 OUTLIER -48.37 -53.58 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.431 ' N ' HG23 ' A' ' 76' ' ' ILE . 2.7 ttm -53.56 -60.21 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.8 OUTLIER -40.5 -63.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.57 -65.11 2.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' GLY . . . -40.32 -69.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 84' ' ' MET . 69.1 t -39.97 -62.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 81' ' ' VAL . 4.2 t80 -37.27 -60.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.9 m -50.94 -43.27 60.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -64.35 -70.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.445 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 4.6 t80 -41.97 -58.86 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -49.25 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.35 -46.62 72.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.445 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 4.0 t80 -37.79 -34.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 t -120.04 -70.15 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.92 171.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -53.31 -21.03 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -60.17 -69.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -46.18 90.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.7 -54.23 2.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -45.35 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.07 -66.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -39.49 106.41 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -178.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.36 -168.13 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.56 166.04 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.03 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.1 tt -100.09 -18.71 16.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -45.25 -49.37 32.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.07 -81.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' PRO . 14.0 pt -36.29 -38.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -66.55 -53.59 27.5 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.0 -50.21 37.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.75 -66.43 2.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -19.44 6.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 11.1 t -74.16 -49.62 22.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -62.21 -34.23 76.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 88.0 t -74.47 -69.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -44.08 -43.23 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -67.31 -39.77 85.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -58.02 -41.55 83.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -70.57 -38.76 74.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -61.54 -46.57 89.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.5 mm -63.38 -57.0 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.78 -42.82 26.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -57.54 9.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.99 -57.25 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -48.45 -62.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.67 -62.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -43.43 -63.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.764 ' O ' HG22 ' A' ' 73' ' ' VAL . 2.1 mt-30 -44.11 -66.91 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -43.56 -31.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -68.04 -50.88 52.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -65.86 -69.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 69' ' ' GLN . 14.2 m -47.31 -33.43 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.08 -35.12 64.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -66.84 -53.11 35.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.766 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 77' ' ' MET . 0.9 OUTLIER -60.49 -51.92 67.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.446 ' N ' HG23 ' A' ' 76' ' ' ILE . 8.3 mtt -57.12 -67.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.1 tt -40.31 -64.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.4 -59.39 1.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' VAL . . . -52.71 -62.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 0.743 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' MET . 53.7 t -40.16 -67.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -39.06 -56.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -55.42 -38.39 68.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.458 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.02 -59.17 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -59.03 -24.62 62.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.7 m -79.42 -70.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -51.6 -27.24 10.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' VAL . 4.7 t80 -46.78 -37.45 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' TYR . 51.9 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' SG ' HG22 ' A' ' 17' ' ' VAL . 7.5 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.476 HG22 ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -143.71 -47.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.9 p 53.79 173.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -20.41 9.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HE2' HD22 ' A' ' 21' ' ' LEU . 2.4 tttt -62.95 -69.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.41 HD22 ' HE2' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -63.55 -30.11 71.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.89 -55.86 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -46.87 73.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -43.97 -58.51 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -39.01 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -56.94 -177.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.08 50.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.59 168.58 7.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.96 42.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLY . 4.7 tp -100.07 -19.8 16.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.531 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.87 -51.16 63.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -74.98 -73.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.4 mm -41.15 -33.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.09 -49.3 22.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -54.49 -53.68 51.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.16 -65.52 3.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.882 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -51.87 -19.83 5.54 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.9 m -78.51 -42.77 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 1.1 tp -66.47 -30.29 70.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.25 -63.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 37' ' ' GLY . 30.4 m -52.13 -42.27 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -65.76 -41.08 92.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -55.63 -55.15 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -58.49 -39.17 79.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -57.27 -59.63 4.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -59.12 -28.83 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -59.44 -61.94 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -42.11 98.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.69 -66.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 8.9 mtp-105 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.0 -60.27 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.34 79.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.64 -60.44 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -53.7 -61.01 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.25 -25.0 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -74.77 -50.21 18.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.08 -60.16 3.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 76' ' ' ILE . 87.4 t -58.19 -58.44 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.97 -34.67 16.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 71' ' ' CYS . . . -66.54 -70.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 73' ' ' VAL . 2.0 tp -41.91 -45.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttt -59.5 -60.24 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 81' ' ' VAL . 3.6 tp -40.39 -56.2 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.674 ' O ' HG23 ' A' ' 83' ' ' THR . . . -54.54 -44.41 78.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.26 -64.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 78' ' ' LEU . 25.9 m -48.26 -28.99 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.472 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -66.33 -55.54 15.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 79' ' ' GLY . 40.0 p -58.05 -32.29 67.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -70.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -52.16 -28.53 18.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.805 ' O ' HG22 ' A' ' 89' ' ' VAL . 73.1 m -77.33 -64.83 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' TYR . 4.3 t70 -45.91 -25.91 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.417 ' N ' ' C ' ' A' ' 86' ' ' SER . 1.7 t80 -36.94 -38.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 86' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.503 HG13 ' H ' ' A' ' 18' ' ' SER . 3.0 p -141.26 -55.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.503 ' H ' HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER 51.37 -176.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.03 -21.13 66.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.76 -68.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CB ' HG23 ' A' ' 17' ' ' VAL . 3.8 mm? -62.14 -40.54 96.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 22' ' ' LEU . 1.3 tm? -48.56 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -41.05 61.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 -62.17 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m -135.65 130.45 34.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -179.4 164.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 66.45 174.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.75 165.27 0.13 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.515 ' O ' HD12 ' A' ' 33' ' ' ILE . 18.5 Cg_endo -74.99 135.83 19.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.99 -20.61 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.527 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.47 -51.44 69.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -74.98 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 29' ' ' PRO . 81.6 mt -47.66 -53.62 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.03 -42.35 98.22 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.95 -53.73 30.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 38' ' ' CYS . . . -70.8 -64.79 2.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -40.94 -28.45 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' N ' ' C ' ' A' ' 36' ' ' GLY . 49.8 t -79.68 -56.38 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.05 -48.28 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 41' ' ' VAL . 32.2 m -68.55 -53.78 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 37' ' ' GLY . 3.0 t -43.46 -70.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -47.47 -56.64 6.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -43.68 77.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -58.59 -56.46 21.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.58 -55.72 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.13 -38.04 56.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -62.13 -47.38 84.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.118 . . . . 0.0 110.27 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.65 -61.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 6.2 mtm180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 67' ' ' ALA . 12.6 p -56.13 -52.73 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.529 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -60.28 -30.6 69.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 65' ' ' ARG . . . -65.52 -45.43 83.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.39 -41.6 98.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.3 63.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -53.59 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -60.11 -54.38 46.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.67 -49.14 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -61.89 -24.87 65.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -71.47 -58.03 3.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 0.784 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 77' ' ' MET . 45.2 pt -58.84 -44.68 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' ILE . 11.4 mtt -66.48 -32.08 73.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.624 ' O ' HG12 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -68.23 -64.62 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 83' ' ' THR . . . -49.94 -40.9 35.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.22 -63.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 78' ' ' LEU . 9.0 p -56.16 -19.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.496 ' O ' ' CB ' ' A' ' 86' ' ' SER . 1.1 t80 -71.48 -60.79 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 79' ' ' GLY . 30.5 p -62.47 -28.1 69.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -67.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -62.88 -23.67 67.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.783 ' O ' HG22 ' A' ' 89' ' ' VAL . 28.5 t -73.37 -69.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.21 -34.38 56.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -45.69 -26.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 86' ' ' SER . 27.2 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 18' ' ' SER . 34.6 m -133.96 -53.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.511 ' N ' HG23 ' A' ' 17' ' ' VAL . 3.9 t 47.9 -174.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.039 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.8 -22.91 65.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -57.31 -68.05 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.879 ' O ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.67 -44.74 96.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -48.16 -42.36 29.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -76.16 -35.43 59.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -57.99 -69.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -41.05 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.649 ' H ' HG23 ' A' ' 25' ' ' THR . 0.6 OUTLIER 38.81 84.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -174.41 -150.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -48.28 174.31 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.03 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.675 HD13 ' HG2' ' A' ' 84' ' ' MET . 0.3 OUTLIER -91.77 -19.78 22.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -42.56 -51.18 11.93 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.99 -64.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' PRO . 67.1 mt -39.93 -51.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.6 -54.46 35.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tp -45.32 -60.23 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.72 -63.15 4.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.6 -19.75 6.8 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -56.66 4.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -53.75 -38.91 64.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.35 -66.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 t -44.2 -66.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.08 -58.06 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -45.26 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -41.39 -31.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.0 mt -50.82 -52.02 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -55.14 -59.37 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.41 ' HA ' ' NH1' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -40.01 -55.27 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ALA . 59.4 t -41.4 -51.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' VAL . . . -40.23 -66.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -46.88 -54.04 10.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.613 ' O ' HG22 ' A' ' 73' ' ' VAL . 12.5 tt0 -45.56 -67.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -51.97 -22.46 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -72.11 -50.36 28.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.5 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 69' ' ' GLN . 27.6 m -53.79 -34.08 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.04 -69.15 1.36 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -45.94 -55.07 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.9 mt -43.14 -70.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mmt -53.51 -19.95 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.469 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -66.88 -65.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.739 ' O ' HG23 ' A' ' 83' ' ' THR . . . -58.24 -38.53 90.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' O ' ' OG1' ' A' ' 83' ' ' THR . . . -59.93 -69.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 0.771 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' TYR . 21.9 t -49.25 -57.95 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.1 t80 -37.51 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 79' ' ' GLY . 66.5 p -54.17 -49.24 69.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.675 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -49.37 -70.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.481 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 4.2 t80 -53.75 -59.63 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 89' ' ' VAL . 72.2 m -39.11 -65.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' VAL . 4.7 t0 -50.48 -50.16 53.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 2.1 t80 -37.5 -33.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 86' ' ' SER . 63.7 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 18' ' ' SER . 27.2 m -124.9 -51.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.485 ' N ' HG23 ' A' ' 17' ' ' VAL . 2.5 t 51.99 175.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.029 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.01 -20.94 66.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -60.21 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.09 -49.06 75.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -66.27 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -50.98 -39.04 54.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.324 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -53.94 35.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -149.98 123.86 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' NE ' ' H ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -170.2 173.54 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' H ' ' NE ' ' A' ' 26' ' ' ARG . 3.7 mt-10 65.95 168.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.49 171.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.65 43.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.2 tt -100.09 -19.36 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.68 -48.92 58.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.95 -80.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.5 1.79 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' PRO . 43.8 pt -38.37 -44.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -65.38 -46.83 84.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' PRO . 10.5 tp -50.6 -56.84 9.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.25 -63.84 4.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.648 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -48.8 -22.3 2.77 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.9 t -78.11 -61.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.5 -53.12 3.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.828 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.5 p -61.26 -54.54 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 37' ' ' GLY . 2.3 t -44.54 -70.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.524 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -45.25 -38.96 5.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -50.13 -61.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -54.38 -45.24 72.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 mt -44.03 -61.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -38.25 -59.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -56.72 13.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tt -42.89 -54.59 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.2 ptt-85 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -21.78 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.22 -68.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.55 -35.46 13.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -64.81 -63.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.35 -20.09 10.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -69.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 108.233 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.573 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -55.99 -57.71 10.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.5 t -52.4 -56.21 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.14 -26.18 34.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.586 1.179 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -71.12 -59.09 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.4 pt -58.99 -29.21 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.592 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -72.64 -47.12 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.57 -42.21 98.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.64 -58.05 15.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.81 -38.74 76.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 77' ' ' MET . 3.3 t -58.48 -67.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.443 ' O ' ' CB ' ' A' ' 86' ' ' SER . 1.1 t80 -51.95 -36.94 51.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -55.08 -58.1 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -66.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -37.8 -51.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.581 ' O ' HG12 ' A' ' 89' ' ' VAL . 9.0 t -68.14 -47.67 67.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.3 OUTLIER -40.42 -44.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -37.77 -55.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 86' ' ' SER . 9.7 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' C ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.63 HG13 ' HB3' ' A' ' 21' ' ' LEU . 90.5 t -151.19 -77.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.56 170.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.7 -27.51 7.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -67.39 0.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.63 ' HB3' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -58.77 -42.81 89.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -39.64 41.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.13 -38.56 35.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -53.0 -44.28 67.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.3 m -44.32 -94.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.4 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' SER . 4.7 tp10 -174.32 -60.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.332 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -44.56 168.31 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' O ' HD12 ' A' ' 33' ' ' ILE . 18.4 Cg_endo -74.97 -174.6 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.759 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD21 HG12 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -93.99 -19.62 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -44.98 -50.24 26.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -75.03 -69.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 29' ' ' PRO . 15.7 mt -39.42 -36.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.01 -49.62 21.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -47.45 -46.68 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.16 -59.78 7.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.684 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -51.51 -20.25 5.26 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.21 -57.66 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -45.32 -45.16 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 41' ' ' VAL . 14.0 p -70.22 -46.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 37' ' ' GLY . 2.3 t -51.94 -70.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.535 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -48.55 -49.49 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -41.88 -56.64 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.22 -53.89 46.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.31 -60.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.6 mm -55.39 -56.63 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.8 -56.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -57.89 -47.2 83.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.42 -65.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 1.3 ttp180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 67' ' ' ALA . 34.5 m -62.18 -53.79 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.538 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -77.77 -57.24 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.72 -42.71 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 19.3 tt0 -73.33 -60.01 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.32 -33.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.56 -52.46 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -50.48 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 74' ' ' GLY . 17.9 m -59.81 -49.14 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -39.59 -52.49 3.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.99 -57.37 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.2 mt -40.72 -70.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -54.78 32.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 2.2 tp -40.24 -39.95 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.35 -52.58 8.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.79 -53.66 11.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 0.778 . . . . 0.0 109.373 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 82' ' ' TYR . 34.4 m -60.83 -50.8 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -39.32 -54.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.5 m -67.59 -37.58 82.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -69.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.38 -38.37 74.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 15.0 t -55.86 -61.22 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -34.07 72.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -49.67 -21.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 86' ' ' SER . 9.8 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.6 -46.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.99 174.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -24.44 14.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -65.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.4 -45.76 78.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -53.27 3.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -72.02 -40.34 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -49.42 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.37 122.02 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.87 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -178.33 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.4 167.71 8.86 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 171.78 17.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.94 -19.91 18.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.517 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -43.37 -50.9 15.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.04 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 33' ' ' ILE . 25.4 mm -40.29 -38.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.7 -50.24 15.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.46 -56.86 6.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 0.796 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 38' ' ' CYS . . . -62.83 -65.42 3.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.816 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -41.34 -27.46 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 39' ' ' LEU . 8.8 t -76.01 -61.64 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -40.06 -40.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.2 t -70.27 -51.57 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 37' ' ' GLY . 41.4 t -53.07 -70.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.83 -48.67 15.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -46.8 -52.98 12.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -66.82 -31.02 71.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -60.67 -60.34 3.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.45 -52.65 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -44.74 -52.88 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -55.24 37.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.4 tt -41.33 -54.25 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.666 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 39.7 mtt180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.66 -63.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.74 96.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . . . -49.69 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' CYS . 37.4 mt-30 -48.2 -64.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . -40.46 -32.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.403 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -69.64 -63.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 108.294 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.98 -70.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -46.53 -57.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.99 -51.36 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.02 95.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.2 mt -54.46 -66.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.628 ' O ' HG23 ' A' ' 81' ' ' VAL . 20.2 ptm -54.89 -31.62 60.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 78' ' ' LEU . 1.7 tm? -60.72 -57.42 12.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.14 -55.18 31.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.9 -68.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 77' ' ' MET . 83.5 t -45.05 -61.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' LEU . 35.0 t80 -38.19 -55.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 m -54.36 -41.35 69.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -67.66 -70.07 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -44.36 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.412 ' O ' HG12 ' A' ' 89' ' ' VAL . 1.2 m -65.04 -60.37 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -44.4 -38.31 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -40.42 -44.86 2.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 86' ' ' SER . 5.0 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.465 ' O ' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.666 HG13 HD22 ' A' ' 21' ' ' LEU . 62.2 t -129.92 -65.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.92 174.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -24.4 66.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -63.68 -66.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.666 HD22 HG13 ' A' ' 17' ' ' VAL . 1.9 tt -53.97 -47.48 71.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -44.31 -60.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -42.8 68.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -43.33 64.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 m -64.19 151.1 44.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -170.06 84.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 43.56 -162.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.25 135.99 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' HD12 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -75.03 -171.37 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.0 mm? -100.06 -19.04 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.03 -49.56 39.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -74.99 -79.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 29' ' ' PRO . 3.5 mt -37.89 -32.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -70.25 -53.39 13.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -51.05 -41.65 60.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.06 -69.45 1.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.88 -19.87 5.59 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.72 -69.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tt -41.77 -37.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.47 -62.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 t -49.19 -66.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.56 -59.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.654 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -40.86 -59.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.74 -48.73 66.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -56.9 10.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.654 HG22 ' O ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -60.63 -29.85 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.57 -47.17 82.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -72.23 -46.62 55.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -66.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.02 -54.85 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.73 -30.79 71.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.95 66.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' HG12 ' A' ' 73' ' ' VAL . 6.1 mm100 -59.39 -42.62 92.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HA ' HG12 ' A' ' 73' ' ' VAL . . . -68.11 -27.19 66.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.98 -40.64 71.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.96 -69.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 69' ' ' GLN . 9.7 p -52.42 -30.26 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.89 -49.81 39.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.95 76.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.7 mt -70.41 -69.58 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.719 ' O ' HG23 ' A' ' 81' ' ' VAL . 2.4 tpt -41.61 -60.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -59.77 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.44 -63.65 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.95 -55.19 21.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 77' ' ' MET . 72.7 t -43.96 -69.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -37.51 -55.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -49.11 -46.84 45.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' ASP . 3.8 mtt -68.71 -69.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -37.72 -37.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 m -78.91 -45.89 19.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' MET . 0.2 OUTLIER -54.18 -32.4 55.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -37.03 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 87' ' ' ASP . 9.4 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.528 HG12 ' N ' ' A' ' 18' ' ' SER . 7.8 t -95.35 -79.14 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.528 ' N ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER 60.44 177.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.049 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.86 -25.73 43.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -56.02 -59.72 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.42 -50.92 65.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.51 -40.81 1.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -50.73 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -30.05 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -38.87 148.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.18 -167.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -135.0 62.75 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.48 168.6 8.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.03 139.27 24.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.64 ' HA ' HG22 ' A' ' 33' ' ' ILE . 1.1 pp -99.43 -19.98 16.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.29 -49.83 79.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -75.01 -52.29 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.64 HG22 ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -49.75 -41.59 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.63 -56.79 8.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.3 -62.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.17 -62.39 5.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.747 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -50.03 -21.91 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -62.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 8.0 mp -45.41 -37.69 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.5 -62.32 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 37' ' ' GLY . 70.6 t -49.27 -70.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.51 -58.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -41.59 -60.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -52.11 45.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -48.61 -60.05 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' LEU . 35.9 mm -52.87 -64.59 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.93 -41.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -67.48 -46.94 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' ILE . 3.0 tt -63.77 -70.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 67' ' ' ALA . 4.0 p -70.22 -48.02 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.448 ' N ' ' CG1' ' A' ' 66' ' ' VAL . . . -64.22 -40.48 96.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.41 58.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.33 89.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.43 -26.86 68.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -55.46 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.37 -65.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.2 t -50.52 -61.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.14 -56.12 4.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.09 -69.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.9 mt -40.72 -69.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.48 -37.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -69.65 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.74 -49.13 1.9 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.95 -68.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' MET . 9.2 t -41.02 -69.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.0 -55.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.2 m -49.45 -42.36 42.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -72.88 -68.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 8.5 t80 -37.43 -47.56 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.098 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.842 ' O ' HG12 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -69.61 -55.61 9.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.964 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 88' ' ' TYR . 10.6 t0 -41.61 -28.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.447 ' N ' ' C ' ' A' ' 86' ' ' SER . 90.7 t80 -36.58 -38.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.842 HG12 ' O ' ' A' ' 86' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.522 0.201 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -125.69 -58.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . -179.86 72.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 74.88 -60.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.15 170.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 62.06 141.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -163.35 166.25 23.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 107.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -159.57 152.89 22.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 108.022 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.671 ' O ' HG13 ' A' ' 9' ' ' VAL . 10.5 p -157.31 91.34 2.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 18.5 Cg_endo -74.93 149.25 36.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.535 1.808 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.2 Cg_endo -75.07 -48.32 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.767 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -43.96 164.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.79 87.55 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 46.64 40.73 8.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 59.84 171.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -146.08 -96.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 108.252 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG12 ' N ' ' A' ' 18' ' ' SER . 17.2 t -82.1 -88.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.659 ' N ' HG12 ' A' ' 17' ' ' VAL . 19.8 m 59.97 171.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' HA ' ' CB ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -51.35 -26.06 7.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -56.39 -68.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.969 ' O ' HG23 ' A' ' 25' ' ' THR . 0.5 OUTLIER -64.39 -21.07 66.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 19' ' ' GLU . 8.4 tp -60.29 -52.23 66.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -27.3 47.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.53 -46.73 83.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.969 HG23 ' O ' ' A' ' 21' ' ' LEU . 68.6 p -53.33 -172.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -169.97 -86.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 28' ' ' SER . 4.7 pt-20 179.99 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -39.08 156.63 0.13 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.13 7.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -97.13 -19.68 18.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.59 -50.16 52.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.6 Cg_endo -74.92 -74.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.77 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' PRO . 38.6 mt -39.12 -46.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -60.43 -61.25 7.29 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 tp -40.83 -59.08 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.6 -60.33 5.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.12 -19.76 25.09 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -45.96 35.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 4.3 tp -62.67 -41.18 98.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -67.79 -58.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' ALA . 11.2 t -52.81 -70.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -40.39 -53.32 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -46.79 -61.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.531 ' CG ' ' HB1' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -53.17 -31.07 40.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -66.43 -65.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 pt -49.77 -30.98 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -65.17 -58.78 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -57.3 -46.46 83.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -55.67 -52.05 65.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -76.43 168.56 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 t -111.0 78.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -124.94 164.33 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.12 -53.61 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 t 71.11 69.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -129.82 -51.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.92 63.0 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.86 37.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.6 p -160.57 76.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 41.6 pt -99.45 28.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.93 -54.07 2.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.565 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 68.85 72.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 63' ' ' HIS . 1.2 tp -164.93 -52.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.466 ' N ' HG23 ' A' ' 62' ' ' ILE . 2.1 t60 -93.9 72.82 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.572 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.675 ' OG1' ' HB3' ' A' ' 67' ' ' ALA . 67.6 p -124.64 -152.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.54 -66.06 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.41 -32.28 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.675 ' HB3' ' OG1' ' A' ' 64' ' ' THR . . . -71.77 -49.7 36.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.4 91.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.65 -44.92 88.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.531 ' HB1' ' CG ' ' A' ' 44' ' ' TYR . . . -65.92 -28.66 69.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -59.31 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -59.95 -66.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -47.51 -58.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.02 -44.7 9.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -57.51 -56.15 25.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.5 mt -57.07 -69.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.32 -67.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 79' ' ' GLY . 5.3 tt -42.65 -63.78 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.76 -60.32 1.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.59 -62.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' MET . 56.3 t -40.49 -68.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -37.76 -58.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.8 m -47.29 -41.49 19.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' VAL . 18.9 mmt -73.27 -68.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -36.88 -44.51 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.14 -50.52 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.51 -26.96 3.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -38.66 -34.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 90' ' ' LYS . 77.7 t -48.49 165.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.499 ' N ' HG12 ' A' ' 89' ' ' VAL . 4.5 mttt -40.46 -59.97 1.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 171.22 -37.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.58 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -170.11 164.64 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 92' ' ' MET . . . 76.49 58.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -91.4 76.34 5.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -104.04 67.9 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.96 166.78 21.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.61 145.78 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -122.56 115.85 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.529 0.204 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -122.28 125.43 45.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.52 -60.11 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 56.07 103.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.36 -60.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.4 110.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.0 92.53 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 19.5 p90 -68.13 160.56 28.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -114.03 93.46 30.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.31 16.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.783 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 162.61 36.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -52.37 -55.02 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -179.05 -63.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -141.8 101.5 3.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -136.93 128.0 27.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -76.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.347 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 18' ' ' SER . 22.1 m -132.96 -48.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.434 ' N ' HG23 ' A' ' 17' ' ' VAL . 7.9 t 57.55 177.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.07 -21.32 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.06 -70.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HB3' ' CA ' ' A' ' 17' ' ' VAL . 4.8 tt -56.72 -39.9 74.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.64 -63.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -55.43 -31.97 62.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -56.44 -58.41 8.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -114.0 113.01 24.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 176.87 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.48 -65.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.11 169.82 17.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.59 30.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.807 ' C ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -96.16 -19.47 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.92 -51.12 41.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -40.28 -41.36 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.85 -56.0 14.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -46.72 -61.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.35 -62.84 4.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -51.83 -20.17 5.81 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -69.62 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -40.33 -40.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.483 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 58.7 t -67.68 -52.79 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 37' ' ' GLY . 15.5 t -53.9 -68.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.62 -51.28 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -43.17 -64.31 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -49.94 -60.09 3.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -65.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.0 mt -43.01 -58.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -41.52 -48.53 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -59.29 -47.12 86.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.51 ' C ' HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -54.55 -60.29 3.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.52 144.43 13.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.09 144.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.043 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.63 130.12 22.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.41 -133.14 2.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.24 -58.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 m -157.44 -60.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -115.39 168.12 10.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 49.0 92.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 m -179.61 173.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mp 63.02 151.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 53.71 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.99 69.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 27.3 mm 62.62 94.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -43.3 112.47 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -131.37 -51.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.1 ptt180 -157.23 -44.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.8 t -45.79 -61.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.06 -45.95 43.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 65' ' ' ARG . . . -53.54 -47.62 69.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -60.94 -59.33 5.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.51 -27.84 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.92 -51.45 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.67 -68.28 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 69' ' ' GLN . 10.4 m -50.37 -43.08 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.576 ' O ' HD12 ' A' ' 78' ' ' LEU . . . -60.68 -33.84 84.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.0 -65.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -44.54 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.45 ' O ' HG22 ' A' ' 81' ' ' VAL . 6.3 mtt -61.46 -59.61 4.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -40.94 -45.67 2.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.19 -40.92 95.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -62.66 -64.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 77' ' ' MET . 30.9 m -49.75 -38.46 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 78' ' ' LEU . 1.8 m-85 -58.59 -57.82 11.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.0 m -55.13 -39.02 68.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -69.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -53.23 -19.87 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.67 ' O ' HG12 ' A' ' 89' ' ' VAL . 11.8 m -80.12 -70.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.7 -19.67 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.549 ' CD1' ' C ' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -54.47 -19.77 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.703 HG13 ' H ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -39.92 -80.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.703 ' H ' HG13 ' A' ' 89' ' ' VAL . 3.9 mttt 60.6 59.98 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.75 76.69 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.5 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 1.2 ttp 59.6 119.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.048 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 92' ' ' MET . . . 71.98 148.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -105.27 -54.63 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -52.32 60.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.1 159.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -138.67 -86.03 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 65.67 152.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.35 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.3 tttm . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.479 0.181 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -103.25 97.45 7.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.92 108.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.93 90.75 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.67 128.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HB3' ' CE3' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -51.63 -178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CE3' ' HB3' ' A' ' 6' ' ' ARG . 23.4 m-90 53.55 -177.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 72.51 -64.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 p 40.51 88.46 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.44 20.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.29 4.85 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.04 -70.9 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.89 92.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.99 123.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -94.58 102.51 14.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -140.32 -70.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.258 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.468 ' CG1' HD23 ' A' ' 22' ' ' LEU . 72.3 t -116.85 -84.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t 59.77 170.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -21.25 61.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -65.63 -59.9 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 21' ' ' LEU . 1.3 tm? -63.67 -40.18 96.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -54.18 -48.47 70.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -64.05 -47.14 81.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.75 -43.27 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.3 m -67.0 161.28 24.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLU . 2.6 ttp180 -176.32 83.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 44.84 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.78 147.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.758 HD13 ' HG2' ' A' ' 84' ' ' MET . 0.6 OUTLIER -100.0 -19.33 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -44.91 -50.06 26.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.03 -75.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.543 1.812 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' PRO . 43.6 mm -38.39 -51.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -60.62 -48.77 84.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 4.6 tp -47.61 -61.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.71 -62.38 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.657 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -52.48 -19.65 6.47 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 4.2 t -78.32 -44.7 24.52 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.711 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -65.05 -30.38 71.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.1 t -78.42 -65.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 37' ' ' GLY . 7.3 p -48.3 -42.68 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -69.33 -42.43 75.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -54.37 -45.47 72.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -66.5 -44.88 81.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -54.1 47.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 mt -55.53 -56.51 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -42.28 -47.84 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -57.63 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -41.48 -57.95 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.87 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 134.86 54.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.66 120.94 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.98 -152.12 1.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 t -166.85 -60.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.011 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 p -138.27 -54.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.416 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.81 124.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.8 tpp 40.98 84.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 t -54.55 148.19 12.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.2 pt -80.31 55.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -131.33 70.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.604 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 64' ' ' THR . 6.9 mt -130.71 68.52 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -47.15 85.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -93.22 11.26 28.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.606 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.444 ' O ' HD22 ' A' ' 61' ' ' LEU . 17.4 m 66.32 -73.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 63' ' ' HIS . 13.2 mtp180 -92.15 48.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.3 -70.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.61 -40.81 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.94 -51.64 69.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.781 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.9 mt-30 -62.24 -64.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -46.79 -30.1 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.62 -49.04 62.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 108.315 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.25 -69.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 69' ' ' GLN . 16.4 m -48.34 -32.92 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.36 -58.48 8.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.9 -58.25 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 77' ' ' MET . 8.3 tp -51.62 -50.67 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.585 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.2 mtp -51.45 -45.0 62.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -61.57 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.86 -59.91 6.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.6 -68.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 77' ' ' MET . 74.9 t -39.89 -70.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 86' ' ' SER . 3.6 t80 -37.45 -50.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.6 m -55.35 -49.69 71.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.758 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.31 -70.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -43.19 -38.51 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.665 ' O ' HG23 ' A' ' 89' ' ' VAL . 73.2 m -71.83 -44.23 64.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -53.46 -46.99 70.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -29.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 86' ' ' SER . 72.6 t -47.77 -81.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.59 55.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.46 27.82 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.64 -177.97 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -177.88 55.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -43.84 -62.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 53.92 69.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 63.22 90.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.39 98.54 1.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.96 90.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.78 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 ttt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.503 0.192 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.6 121.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 65.34 145.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.13 108.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -134.5 146.11 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.1 153.81 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.1 p90 -136.44 133.31 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 108.03 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.413 ' C ' HG22 ' A' ' 9' ' ' VAL . 6.4 m-90 -114.63 -61.69 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 8' ' ' TRP . 16.0 m 40.54 64.97 4.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 18.4 Cg_endo -74.95 165.41 31.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -17.45 19.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 49.26 94.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.71 140.08 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -39.97 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 t0 51.11 88.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.451 ' C ' HG23 ' A' ' 17' ' ' VAL . 11.6 p -68.64 -47.07 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.746 HG13 ' HB3' ' A' ' 21' ' ' LEU . 79.4 t -155.09 -69.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m 61.29 171.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.029 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.25 -22.8 4.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -60.43 -69.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.913 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -63.15 -24.96 68.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -68.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -40.07 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -44.51 -64.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.913 HG22 ' O ' ' A' ' 21' ' ' LEU . 1.7 t -85.08 108.84 17.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -75.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.3 -80.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER 53.11 178.62 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 133.69 16.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.553 1.817 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.9 pp -95.5 -19.91 19.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.53 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.65 -51.05 73.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.5 Cg_endo -75.02 -71.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.3 mt -42.85 -35.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . -70.79 -48.55 33.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -47.84 79.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.27 -69.89 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -51.77 -19.85 5.37 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.5 t -75.29 -46.32 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -37.24 86.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.03 -70.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 42' ' ' ALA . 9.5 p -47.14 -53.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.526 ' N ' HG13 ' A' ' 41' ' ' VAL . . . -44.59 -54.39 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.82 -56.42 12.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -50.5 -37.88 41.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -67.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mt -44.53 -57.23 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -43.34 -56.55 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -56.24 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -60.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -48.8 122.12 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t 67.07 125.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.65 158.5 16.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.3 123.05 1.12 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.5 p -107.3 83.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.2 m 46.07 58.03 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.69 75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.4 tpt -174.83 144.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 m 59.95 65.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.5 mt 66.63 -77.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.426 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.65 -47.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.563 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.901 ' O ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -167.44 -78.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.901 HD13 ' O ' ' A' ' 61' ' ' LEU . 4.4 mm -139.13 175.18 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.652 ' H ' HG22 ' A' ' 62' ' ' ILE . 2.2 m80 -56.91 -59.29 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.632 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.4 m -130.67 52.49 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 32.3 mtm-85 46.6 29.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.1 t -49.86 -49.41 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.491 ' HB3' HG13 ' A' ' 62' ' ' ILE . . . -57.3 -48.78 78.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . . . -51.2 -60.76 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.793 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.1 tt0 -50.33 -59.18 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -49.55 -28.97 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -49.79 55.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.57 -69.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 69' ' ' GLN . 21.2 m -48.89 -32.56 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.03 -69.78 1.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.18 -43.27 1.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.776 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.8 mm -58.99 -68.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.2 mmm -46.34 -60.44 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -51.94 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.72 -43.88 91.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -61.41 -64.65 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.76 -37.6 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.18 -45.16 95.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -61.7 -47.73 83.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.0 mtm -66.78 -70.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.436 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 38.8 t80 -39.88 -46.74 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.3 t -68.14 -45.77 72.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' VAL . 11.2 t0 -53.07 -27.17 18.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 78.4 t80 -37.49 -33.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -44.82 166.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -45.41 -64.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.71 -61.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.07 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . . . -130.61 69.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.4 mm-40 -38.93 -55.42 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 70.13 -61.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 94' ' ' GLN . . . -64.82 91.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -42.96 -91.53 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.56 1.163 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 48.75 82.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.497 0.189 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -83.38 136.06 34.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.22 -61.07 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.05 92.38 9.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.8 82.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.7 162.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 63.86 145.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -177.53 78.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 107.985 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 9' ' ' VAL . 13.7 p -149.47 86.92 5.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 154.98 42.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 160.83 39.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -135.8 -53.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.59 173.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -144.64 153.99 42.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.6 p-10 -146.75 84.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.6 m 64.91 -97.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 108.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.714 HG13 ' HB3' ' A' ' 21' ' ' LEU . 70.8 t -122.71 -48.85 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 t 53.49 173.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.91 -20.04 65.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -65.39 -63.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.714 ' HB3' HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -62.13 -42.06 98.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -48.96 -59.64 3.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -39.71 82.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -46.74 -56.73 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 m -157.98 134.6 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -178.37 81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.59 169.56 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.38 166.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.957 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.03 32.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -99.17 -19.73 17.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.527 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.58 -50.87 63.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' PRO . 22.8 mm -39.99 -37.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -66.76 -54.24 23.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.2 tm? -47.52 -48.8 27.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.73 -67.5 2.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.797 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -51.18 -19.88 4.29 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.9 t -73.14 -70.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 tt -41.81 -46.0 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 41.9 t -59.44 -51.56 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 37' ' ' GLY . 24.6 t -56.6 -67.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' CD ' ' A' ' 45' ' ' ARG . . . -39.94 -37.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -65.17 -54.03 35.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' VAL . 34.0 t80 -53.06 -61.57 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' CD ' ' HA ' ' A' ' 42' ' ' ALA . 13.6 ptt180 -51.76 -38.44 55.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 47' ' ' TYR . 4.2 mm -62.77 -71.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.519 ' N ' HG22 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -37.74 -44.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 ttp85 -62.34 -58.94 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 tp -50.68 -63.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.8 175.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.4 ' CB ' ' HD3' ' A' ' 56' ' ' LYS . 60.5 p -140.79 140.65 34.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.944 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 -58.33 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.46 -70.01 0.29 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -58.71 -57.65 12.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.0 p -83.63 60.42 5.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HD3' ' CB ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -162.8 64.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.2 tpt -148.34 77.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.09 177.66 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 pt -78.26 89.29 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.232 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 56.28 30.35 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.571 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.51 64.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 62' ' ' ILE . 59.7 mt -136.79 63.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.49 58.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.552 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.498 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.3 m -153.94 138.66 17.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -50.83 71.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.0 t -61.77 -69.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 64' ' ' THR . . . -40.73 -56.57 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 64' ' ' THR . . . -44.83 -67.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.817 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -46.4 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.431 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -41.06 -31.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -69.6 -55.57 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -60.21 -66.92 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 69' ' ' GLN . 11.4 m -50.59 -33.82 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -62.6 -47.65 87.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.7 -56.97 14.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.71 -68.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' LEU . 6.5 ttm -45.09 -64.09 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 28.1 tp -40.33 -66.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.34 -50.19 2.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.19 -66.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 84' ' ' MET . 58.7 t -40.51 -70.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -38.5 -60.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.9 m -46.41 -39.32 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 81' ' ' VAL . 5.3 tpp -73.0 -67.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -36.99 -39.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.829 ' O ' HG22 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -79.7 -58.93 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.035 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -42.08 -28.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.443 ' N ' ' C ' ' A' ' 86' ' ' SER . 8.3 t80 -35.77 -37.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -43.44 -91.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.623 ' H ' HG23 ' A' ' 89' ' ' VAL . 0.8 OUTLIER 58.91 17.11 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -144.98 87.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.428 ' CG ' ' O ' ' A' ' 92' ' ' MET . 9.8 ptt? -75.96 119.97 20.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -152.11 -64.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.28 79.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -113.66 -55.83 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.93 120.78 4.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -38.83 -73.61 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -56.07 113.23 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mmm . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.499 0.19 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 t -147.74 152.9 38.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.75 -60.82 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 176.3 91.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 43.16 91.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -76.72 104.7 7.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -97.18 87.59 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.44 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -57.0 110.41 0.81 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.608 HG13 ' HD2' ' A' ' 10' ' ' PRO . 69.2 t -49.62 141.23 13.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.608 ' HD2' HG13 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.04 172.27 16.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 65.19 6.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.4 120.84 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -150.74 111.43 4.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -76.6 78.85 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.72 160.69 22.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -48.2 7.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 108.291 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.85 HG23 ' HB3' ' A' ' 21' ' ' LEU . 2.9 p -150.61 -58.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.587 ' H ' HG13 ' A' ' 17' ' ' VAL . 60.7 p 49.23 -174.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.26 -21.41 66.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -60.6 -69.43 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.85 ' HB3' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -61.55 -46.86 88.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tp -45.12 -68.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -46.5 44.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -42.74 -52.56 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -149.04 125.95 11.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 26' ' ' ARG . 1.5 ptt180 -179.68 72.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -176.22 170.8 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.24 169.15 0.11 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.45 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.0 146.85 33.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -99.43 -19.92 16.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -52.3 -50.12 81.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.02 -70.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.1 mt -43.85 -32.19 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -71.79 -52.93 10.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -51.21 -47.6 62.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.19 -69.64 1.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -46.0 -24.03 1.27 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . 49.6 t -72.61 -67.87 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' CYS . 0.4 OUTLIER -40.41 -40.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 77.1 t -68.94 -57.14 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 37' ' ' GLY . 5.4 t -48.84 -66.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.95 -54.59 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -40.73 -60.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -55.87 -48.96 74.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -49.03 -65.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.0 mt -46.62 -62.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -38.43 -50.87 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -54.45 44.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.26 -65.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -59.57 149.11 31.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.45 105.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 109.962 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -40.85 94.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' THR . . . 92.03 -92.86 1.74 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.16 -65.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 0.788 . . . . 0.0 110.045 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' GLY . 50.0 p -124.25 62.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.6 tttp 176.48 152.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.06 -64.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' LYS . 1.4 t -50.2 -55.09 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.6 72.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -177.66 -55.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' ILE . 5.7 mt -48.46 -68.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 61' ' ' LEU . 7.1 pt 51.32 178.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.04 97.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.6 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' ARG . 95.7 m 63.47 65.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.489 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 5.5 mmt180 -38.61 100.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 68.6 t -50.86 -40.29 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.24 -44.88 86.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 65' ' ' ARG . . . -57.24 -68.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -49.65 -32.94 14.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 66' ' ' VAL . . . -66.93 -34.76 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.77 -56.26 7.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -69.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -49.1 -61.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.37 -65.75 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.99 -55.66 2.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.2 mt -54.15 -69.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -38.68 -68.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' MET . 1.1 mp -39.85 -46.32 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.38 -69.66 1.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.84 -60.88 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.7 t -40.75 -66.05 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -37.92 -57.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -48.59 -64.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' ASP . 2.5 mmt -52.79 -70.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.453 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 2.6 t80 -36.84 -62.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -39.9 60.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 84' ' ' MET . 3.8 t70 -55.13 -42.2 72.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.453 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 42.6 t80 -37.68 -33.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p -45.15 146.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 91' ' ' ARG . 11.8 pttt -41.69 -49.08 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 0.4 OUTLIER 164.4 109.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -121.3 120.36 34.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -131.5 134.13 45.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.07 68.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -174.26 -56.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.18 -61.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.93 -136.14 8.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' LYS . 28.7 mt-10 -121.75 127.36 50.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.527 0.203 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.1 135.91 57.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.02 65.65 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -178.83 138.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -145.22 95.86 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -65.44 164.95 12.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -106.85 142.16 36.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.022 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -120.91 154.63 35.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.0 m -100.5 154.48 37.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 153.32 41.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -174.33 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t0 178.18 71.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -167.66 -177.1 3.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -55.19 92.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.25 95.93 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.534 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -126.16 -63.27 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -159.46 -46.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.12 172.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -28.07 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -55.1 -59.42 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 17' ' ' VAL . 3.0 mm? -69.38 -42.85 74.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -43.21 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -80.01 -55.58 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.4 -64.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.7 p -38.63 106.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -60.07 -173.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.168 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -109.75 41.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.61 170.83 4.95 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 158.43 42.21 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.834 ' C ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -99.51 -19.53 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.511 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -50.76 -51.59 64.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 -68.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.5 mm -42.24 -42.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -69.15 -43.51 71.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -56.1 20.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.69 -61.84 7.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -52.64 -20.12 7.34 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.2 m -78.94 -45.07 21.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -31.77 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.3 t -75.12 -70.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 37' ' ' GLY . 8.1 p -44.79 -49.41 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -56.01 -62.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.81 -49.31 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -44.95 96.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -55.01 -52.83 61.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mt -53.73 -55.25 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -45.69 -46.38 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -54.54 42.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.93 -53.71 5.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.02 173.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.3 t 62.39 120.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.2 166.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.45 59.53 1.57 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.91 95.92 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.427 ' O ' HG22 ' A' ' 55' ' ' THR . 52.3 m 62.48 51.61 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.05 85.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.61 -33.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.049 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.778 ' O ' HG23 ' A' ' 59' ' ' ILE . 6.0 p -122.28 134.92 54.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 58' ' ' SER . 1.1 pt -168.93 -42.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.514 ' O ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -151.43 -46.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.583 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.63 77.87 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.647 HD13 ' H ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -132.69 20.01 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -44.03 7.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 m -115.2 169.36 9.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -89.48 47.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.53 -33.27 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.22 -52.01 46.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.76 -56.85 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -46.8 -52.64 13.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.39 -25.89 68.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.5 t -63.78 -51.35 65.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.47 -69.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.7 t -41.13 -46.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.45 -45.49 90.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 71' ' ' CYS . . . -50.17 -55.49 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.5 mt -59.43 -66.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.596 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -38.56 -34.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.01 -62.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.91 -54.91 26.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.7 -65.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 77' ' ' MET . 25.5 t -41.15 -57.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.36 -59.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -27.54 65.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -71.9 -70.05 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -56.57 -22.38 33.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.691 ' O ' HG13 ' A' ' 89' ' ' VAL . 30.1 t -78.19 -66.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.71 -28.63 49.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -50.37 -23.49 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 86' ' ' SER . 27.7 m -50.59 176.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -176.33 103.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.52 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 17.7 ttp -131.11 120.04 22.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 92' ' ' MET . . . 73.05 80.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -47.47 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 1.4 p-10 -178.5 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 95' ' ' ASP . . . 69.09 -67.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 95' ' ' ASP . . . -95.15 104.83 3.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.33 170.65 4.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.517 0.199 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.23 111.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.15 175.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -155.38 155.29 33.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -174.7 117.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -179.63 169.89 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.0 t90 67.69 63.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.04 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -136.63 72.01 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 107.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.03 106.64 12.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.365 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 18.5 Cg_endo -74.91 149.0 36.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.3 Cg_endo -75.06 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 51.32 178.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.08 -49.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -165.38 -60.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 60.12 153.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.58 -75.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 18' ' ' SER . 16.0 m -144.43 -49.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.4 ' N ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER 54.24 176.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -57.51 -26.87 61.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -57.55 -69.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.666 ' O ' HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -57.06 -32.95 66.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -65.96 -24.23 66.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -60.96 -69.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 21' ' ' LEU . 1.6 t -56.11 110.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 -59.96 179.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.59 61.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -115.29 178.58 0.94 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.95 147.67 34.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.4 pp -99.26 -19.93 16.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.524 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -50.15 -51.6 61.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.1 Cg_endo -75.01 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.5 mt -40.66 -35.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.72 -46.28 31.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -54.2 -50.12 67.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.48 -65.63 2.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.572 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -49.45 -21.58 3.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . 13.4 t -75.2 -68.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' CYS . 1.9 mp -40.33 -39.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.76 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 37' ' ' GLY . 32.1 t -49.33 -65.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -40.09 -57.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.87 -63.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.81 -53.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -57.19 -63.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.8 mt -42.63 -64.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -41.22 -46.86 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -50.87 68.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -51.25 70.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.69 -70.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.66 106.17 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.0 77.76 1.2 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 76.0 p -123.31 170.84 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -61.95 -61.93 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.465 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -120.3 -64.15 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -178.44 154.37 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -177.27 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.06 111.31 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 44.27 65.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.599 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.6 tp -129.25 -65.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.8 mm 59.12 87.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 34.2 t60 -160.08 35.7 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.0 p -118.68 -173.91 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.28 -53.96 2.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 m -46.65 -45.65 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.55 -59.08 5.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.16 -55.07 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -64.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.53 -31.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -55.5 7.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.32 -68.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.3 t -49.66 -50.04 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -50.49 -42.62 43.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.08 -69.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.8 mm -42.15 -68.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' LEU . 2.8 tpt -41.93 -64.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 7.7 tp -40.53 -66.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.82 -48.57 1.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.82 -57.1 14.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' MET . 79.4 t -48.11 -68.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -37.74 -53.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -50.59 -45.83 57.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' VAL . 8.8 mtt -71.5 -69.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -37.68 -37.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.3 t -77.89 -49.77 13.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -49.92 -26.69 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' ASP . 31.7 t80 -37.58 -39.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.5 t -53.78 122.73 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -45.77 -74.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 176.7 43.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 68.55 121.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.09 -68.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -140.29 68.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.81 -57.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 60.42 173.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -68.87 -83.08 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -124.43 116.31 22.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.525 0.203 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -135.99 100.74 4.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.38 168.43 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -81.67 122.74 28.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.93 143.61 22.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 39.52 38.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -116.52 104.89 11.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 107.984 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 178.66 149.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.607 HG23 ' HD2' ' A' ' 10' ' ' PRO . 4.1 p -157.84 141.99 11.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.03 170.73 19.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' ASP . 18.2 Cg_endo -75.01 -35.31 3.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' PRO . 27.7 m-20 58.12 160.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 174.9 164.33 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -59.32 114.19 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -156.36 172.51 18.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.2 m -125.67 -61.95 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' CG1' ' HG ' ' A' ' 22' ' ' LEU . 24.7 t -147.52 -74.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.579 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 61.39 178.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -19.82 52.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -62.98 -70.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -45.14 84.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 18' ' ' SER . 3.6 mt -50.99 -69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -42.21 -50.52 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -57.45 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -130.79 124.08 30.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.76 73.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.63 160.77 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.67 165.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.05 41.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.659 ' HA ' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -96.41 -19.85 18.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.561 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.74 -49.34 73.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.0 -75.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -40.49 -31.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -73.59 -48.79 16.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -55.52 -51.79 65.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.17 -65.5 3.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 1.0 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -52.22 -19.69 6.05 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.7 m -76.1 -49.02 18.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -64.61 -25.76 68.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.2 t -74.3 -69.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.0 HG12 ' O ' ' A' ' 37' ' ' GLY . 3.9 p -51.63 -40.37 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -65.8 -45.96 80.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -51.22 -47.67 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -63.71 -47.19 82.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -53.1 -57.49 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.38 -63.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.15 -53.0 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -50.54 -55.89 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -65.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.43 99.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 p 172.95 177.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -123.57 76.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 130.29 -75.08 0.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -172.25 -62.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 t -175.76 -45.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.58 76.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 70.45 -59.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 t 63.29 95.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.6 mm -90.36 71.81 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 69.67 64.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.573 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 44.45 90.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.1 pt -143.49 -180.0 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 t60 70.05 127.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.582 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER 66.43 115.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.402 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -29.54 56.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.9 t -48.74 -62.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' H ' HG22 ' A' ' 64' ' ' THR . . . -40.98 -61.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.65 -57.79 2.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -49.37 -62.69 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.3 -29.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -57.69 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.97 -68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -50.24 -59.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -41.38 -45.44 4.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 -61.36 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -50.42 -70.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 ttt -40.48 -60.11 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -44.44 -65.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.53 -53.28 1.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.31 78.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 78' ' ' LEU . 70.2 t -54.46 -61.94 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -44.13 -45.36 8.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -56.1 -52.31 64.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -70.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -36.77 -53.4 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.1 t -59.66 -50.32 74.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -48.42 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -38.96 -43.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 91' ' ' ARG . 74.0 t -46.67 122.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -83.24 59.99 5.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.527 ' HB2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -145.71 82.75 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -177.55 150.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -177.26 48.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -155.54 -58.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 97' ' ' GLY . 7.5 t70 59.05 69.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.63 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' ASP . . . -162.28 133.02 2.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.36 138.76 14.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.533 0.206 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -172.69 112.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.55 155.88 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.95 103.56 7.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 147.8 52.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -76.46 77.68 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 61.93 162.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -108.74 155.23 20.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.029 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t 61.01 94.47 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.86 15.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -178.96 4.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.787 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -155.15 89.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -93.47 -51.57 4.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -121.03 82.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.32 98.92 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.496 ' O ' HD11 ' A' ' 76' ' ' ILE . 1.8 t -174.44 -72.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 108.341 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.0 t -134.82 -78.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.5 m 62.58 170.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -53.11 -23.78 8.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -61.59 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.15 -44.67 87.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.37 -51.2 4.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -52.5 22.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.63 -67.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.5 m -39.82 101.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -179.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -78.7 -177.01 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.482 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER 79.59 176.88 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.04 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.921 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -100.09 -19.48 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.907 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -46.48 -49.7 43.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.04 -70.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' PRO . 47.3 mt -39.76 -37.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -69.43 -51.2 27.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.32 -50.67 38.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.91 -64.95 3.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.462 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -51.91 -19.71 5.49 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.68 -66.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.648 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -52.95 -23.69 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.8 t -73.32 -70.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 42' ' ' ALA . 12.6 p -50.51 -54.09 10.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.543 ' N ' HG13 ' A' ' 41' ' ' VAL . . . -50.65 -58.76 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -40.73 -48.53 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.5 -47.16 82.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.61 -52.21 14.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.875 HD13 ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -67.74 -35.46 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -58.01 -42.45 85.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -77.14 -51.38 11.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.4 -49.74 3.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.86 164.47 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.52 145.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.073 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -142.32 135.57 28.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.57 -66.14 0.33 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' LYS . 4.6 m 67.63 138.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 110.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 49.9 m 67.75 -67.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.4 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -70.42 -41.28 73.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.1 ttp -166.72 126.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -159.25 -70.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.858 HD11 HD12 ' A' ' 62' ' ' ILE . 49.2 pt -123.54 -42.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.19 160.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.611 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER 68.32 37.28 2.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.858 HD12 HD11 ' A' ' 59' ' ' ILE . 2.9 tt -109.47 119.79 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -91.82 23.44 3.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 109.606 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.3 m 50.65 60.63 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -166.66 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 67' ' ' ALA . 33.2 m -60.55 -52.12 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.677 ' HB2' HD11 ' A' ' 62' ' ' ILE . . . -66.16 -50.18 64.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.58 13.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.574 ' O ' HG22 ' A' ' 73' ' ' VAL . 3.3 mt-30 -61.74 -66.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -40.11 -30.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -70.15 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.302 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.05 -64.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 69' ' ' GLN . 16.4 m -52.97 -33.3 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.36 -32.02 78.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.65 -55.77 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.496 HD11 ' O ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -59.58 -35.34 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 73' ' ' VAL . 4.5 mmt -72.5 -66.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 78' ' ' LEU . 1.4 tm? -39.72 -42.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' TYR . . . -66.66 -58.78 7.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 83' ' ' THR . . . -44.04 -51.63 7.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 78' ' ' LEU . 12.0 p -62.91 -35.93 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.8 t80 -53.29 -59.64 4.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 80' ' ' ALA . 14.1 t -62.7 -37.11 85.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -70.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.423 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 87.1 t80 -54.61 -31.19 56.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -64.85 -70.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.6 -24.12 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.423 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 2.3 t80 -40.92 -30.98 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.6 m -46.18 163.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -65.85 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.95 -53.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.0 120.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.95 -67.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 73.77 95.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.69 -55.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.71 -59.56 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.01 -168.45 41.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.09 170.52 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.51 0.195 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -88.81 99.17 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.84 93.01 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -166.75 -56.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -38.92 119.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.72 130.5 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -60.65 149.79 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.0 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -54.87 131.71 44.85 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 4.0 m -80.98 145.03 56.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.97 152.66 41.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.14 43.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -70.15 -50.45 40.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t70 178.17 -49.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.74 -48.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.71 141.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.639 ' O ' HD13 ' A' ' 21' ' ' LEU . 47.3 t -125.34 -74.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 21' ' ' LEU . 85.4 t -100.8 -82.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 177.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.028 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 22' ' ' LEU . 38.8 mt-10 -54.89 -27.27 41.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -59.29 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -65.56 -52.31 53.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 19' ' ' GLU . 13.9 mt -40.41 -36.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -79.75 -57.11 3.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.27 -62.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 t -54.39 -168.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.99 -176.87 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 28' ' ' SER . 14.1 pt-20 -67.84 -50.53 56.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' ' CG ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -41.52 162.27 0.13 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 pp -95.66 -19.63 19.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -42.24 -51.19 11.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -53.25 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.0 mt -46.39 -40.95 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.12 -43.64 32.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.91 -55.98 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.47 -63.36 4.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.643 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -46.57 -23.97 1.56 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.3 t -77.32 -61.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.94 -55.05 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.846 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.2 p -59.3 -54.96 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 37' ' ' GLY . 2.4 t -44.14 -69.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.507 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -45.26 -37.07 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.846 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -52.83 -57.22 10.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -64.08 -42.35 96.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.2 -46.0 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.14 -61.61 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -45.73 82.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.95 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.9 167.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.86 142.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.952 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -40.45 117.97 0.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -112.55 93.37 0.68 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.46 -179.96 6.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 0.725 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.3 m -59.35 131.56 51.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt 63.58 92.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.26 -54.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.7 m -129.35 158.81 38.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.29 47.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -120.76 52.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.96 83.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.2 mp 51.35 85.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -172.37 -55.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.585 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.434 ' CG2' ' HB3' ' A' ' 67' ' ' ALA . 14.4 t -82.08 168.05 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.57 -51.37 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 67' ' ' ALA . 17.3 m -40.64 -50.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.434 ' HB3' ' CG2' ' A' ' 64' ' ' THR . . . -61.46 -59.73 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -42.39 -66.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 71' ' ' CYS . 51.9 tt0 -45.3 -68.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -70.05 -70.2 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.673 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -48.81 -62.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 75' ' ' ALA . 41.9 t -50.58 -66.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.366 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -42.23 -27.23 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -73.92 -70.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 77' ' ' MET . 0.5 OUTLIER -48.37 -53.58 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.431 ' N ' HG23 ' A' ' 76' ' ' ILE . 2.7 ttm -53.56 -60.21 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.8 OUTLIER -40.5 -63.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.57 -65.11 2.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' GLY . . . -40.32 -69.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 84' ' ' MET . 69.1 t -39.97 -62.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 81' ' ' VAL . 4.2 t80 -37.27 -60.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.9 m -50.94 -43.27 60.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -64.35 -70.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.445 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 4.6 t80 -41.97 -58.86 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -49.25 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.35 -46.62 72.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.445 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 4.0 t80 -37.79 -34.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.7 t -45.24 119.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 59.91 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -169.01 74.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.247 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 179.06 134.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -169.3 63.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.62 98.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.06 -56.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.93 110.4 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 137.91 151.43 5.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.91 157.24 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.502 0.191 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.76 165.71 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.93 -62.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 57.95 162.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.85 115.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -104.69 -54.71 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 64.45 105.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.025 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.406 ' C ' HG22 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -140.17 -68.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 108.006 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.406 HG22 ' C ' ' A' ' 8' ' ' TRP . 16.2 m 40.54 68.34 2.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 18.2 Cg_endo -75.0 154.82 42.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.525 1.802 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.3 Cg_endo -74.99 138.07 22.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.6 109.98 5.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -174.45 112.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.63 71.46 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.33 144.96 43.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.1 m -67.65 -81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.324 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 t -120.04 -70.15 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.92 171.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -53.31 -21.03 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -60.17 -69.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -46.18 90.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.7 -54.23 2.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -45.35 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.07 -66.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -39.49 106.41 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -178.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.36 -168.13 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.56 166.04 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.03 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.1 tt -100.09 -18.71 16.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -45.25 -49.37 32.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.07 -81.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' PRO . 14.0 pt -36.29 -38.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -66.55 -53.59 27.5 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.0 -50.21 37.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.75 -66.43 2.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -19.44 6.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 11.1 t -74.16 -49.62 22.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -62.21 -34.23 76.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 88.0 t -74.47 -69.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -44.08 -43.23 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -67.31 -39.77 85.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -58.02 -41.55 83.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -70.57 -38.76 74.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -61.54 -46.57 89.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.5 mm -63.38 -57.0 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.78 -42.82 26.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -57.54 9.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.99 -57.25 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.05 127.37 31.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m 61.0 106.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -101.21 101.56 12.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.19 82.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 m -149.95 75.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.977 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 t -167.82 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 57' ' ' MET . 2.1 mtpp 68.37 82.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.441 ' CB ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER 164.93 -34.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.99 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.11 117.57 5.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 59' ' ' ILE . 46.5 mm 65.66 61.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -100.73 -61.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.596 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.94 70.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 pt 40.56 55.2 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -125.98 65.27 1.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.562 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 m -159.54 128.61 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 -48.26 -57.68 5.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.26 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -48.45 -62.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.67 -62.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -43.43 -63.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.764 ' O ' HG22 ' A' ' 73' ' ' VAL . 2.1 mt-30 -44.11 -66.91 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -43.56 -31.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -68.04 -50.88 52.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -65.86 -69.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 69' ' ' GLN . 14.2 m -47.31 -33.43 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.08 -35.12 64.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -66.84 -53.11 35.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.766 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 77' ' ' MET . 0.9 OUTLIER -60.49 -51.92 67.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.446 ' N ' HG23 ' A' ' 76' ' ' ILE . 8.3 mtt -57.12 -67.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.1 tt -40.31 -64.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.4 -59.39 1.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' VAL . . . -52.71 -62.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 0.743 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' MET . 53.7 t -40.16 -67.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -39.06 -56.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -55.42 -38.39 68.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.458 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.02 -59.17 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -59.03 -24.62 62.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.7 m -79.42 -70.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -51.6 -27.24 10.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' VAL . 4.7 t80 -46.78 -37.45 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' TYR . 51.9 t -40.13 -79.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 tptt 42.68 55.65 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -141.32 -54.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 5.9 mtp -154.42 119.9 5.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -164.02 -71.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -173.72 -49.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 48.39 69.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.87 70.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -67.98 -66.4 2.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.133 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 59.39 113.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.446 0.165 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 m 61.23 160.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.032 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.3 83.24 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -149.09 96.58 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -140.64 93.09 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.08 101.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -152.7 63.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -116.91 -62.09 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.57 154.32 85.6 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 18.3 Cg_endo -75.04 155.69 42.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.765 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.2 Cg_endo -75.0 162.02 37.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -125.42 142.85 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -120.34 -43.77 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 59.24 54.9 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.15 173.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' SG ' HG22 ' A' ' 17' ' ' VAL . 7.5 p -109.39 -42.98 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.282 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.476 HG22 ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -143.71 -47.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.9 p 53.79 173.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -20.41 9.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HE2' HD22 ' A' ' 21' ' ' LEU . 2.4 tttt -62.95 -69.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.41 HD22 ' HE2' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -63.55 -30.11 71.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.89 -55.86 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -46.87 73.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -43.97 -58.51 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -39.01 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -56.94 -177.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.08 50.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.59 168.58 7.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.96 42.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLY . 4.7 tp -100.07 -19.8 16.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.531 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.87 -51.16 63.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -74.98 -73.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.4 mm -41.15 -33.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.09 -49.3 22.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -54.49 -53.68 51.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.16 -65.52 3.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.882 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -51.87 -19.83 5.54 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.9 m -78.51 -42.77 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 1.1 tp -66.47 -30.29 70.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.25 -63.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 37' ' ' GLY . 30.4 m -52.13 -42.27 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -65.76 -41.08 92.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -55.63 -55.15 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -58.49 -39.17 79.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -57.27 -59.63 4.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -59.12 -28.83 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -59.44 -61.94 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -42.11 98.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.69 -66.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 8.9 mtp-105 -69.97 125.21 26.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -179.02 172.49 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.987 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.55 75.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.97 -107.76 0.33 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.72 -63.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 m -150.65 -63.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -81.55 84.43 6.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.41 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -110.32 168.36 9.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m 62.8 150.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.9 tp -90.88 137.47 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 40.85 59.47 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.639 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 tp -147.95 158.95 44.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.556 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 3.1 mt 69.33 143.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 62' ' ' ILE . 45.2 p-80 52.18 24.71 2.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.61 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -95.16 -75.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.77 -43.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.0 -60.27 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.34 79.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.64 -60.44 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -53.7 -61.01 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.25 -25.0 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -74.77 -50.21 18.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.08 -60.16 3.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 76' ' ' ILE . 87.4 t -58.19 -58.44 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.97 -34.67 16.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 71' ' ' CYS . . . -66.54 -70.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 73' ' ' VAL . 2.0 tp -41.91 -45.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttt -59.5 -60.24 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 81' ' ' VAL . 3.6 tp -40.39 -56.2 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.674 ' O ' HG23 ' A' ' 83' ' ' THR . . . -54.54 -44.41 78.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.26 -64.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 78' ' ' LEU . 25.9 m -48.26 -28.99 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.472 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -66.33 -55.54 15.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 79' ' ' GLY . 40.0 p -58.05 -32.29 67.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -70.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -52.16 -28.53 18.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.805 ' O ' HG22 ' A' ' 89' ' ' VAL . 73.1 m -77.33 -64.83 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' TYR . 4.3 t70 -45.91 -25.91 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.417 ' N ' ' C ' ' A' ' 86' ' ' SER . 1.7 t80 -36.94 -38.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -40.69 -80.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.7 ' H ' HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER 80.04 57.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -140.02 -45.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.8 172.35 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.72 149.95 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.95 80.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -119.94 60.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 65.13 80.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.05 -124.29 1.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.66 152.99 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.75 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.52 0.2 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -155.76 83.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.88 -62.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t30 62.17 110.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -139.6 -67.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 44.38 79.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.298 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.0 m0 54.3 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 107.989 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 71.82 93.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.7 p -172.56 65.59 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.53 3.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.17 4.03 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.34 164.11 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.7 -57.93 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -166.73 104.69 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.87 137.78 35.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 m -52.37 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.503 HG13 ' H ' ' A' ' 18' ' ' SER . 3.0 p -141.26 -55.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.503 ' H ' HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER 51.37 -176.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.03 -21.13 66.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.76 -68.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CB ' HG23 ' A' ' 17' ' ' VAL . 3.8 mm? -62.14 -40.54 96.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 22' ' ' LEU . 1.3 tm? -48.56 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -41.05 61.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 -62.17 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m -135.65 130.45 34.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -179.4 164.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 66.45 174.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.75 165.27 0.13 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.515 ' O ' HD12 ' A' ' 33' ' ' ILE . 18.5 Cg_endo -74.99 135.83 19.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.99 -20.61 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.527 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.47 -51.44 69.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -74.98 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 29' ' ' PRO . 81.6 mt -47.66 -53.62 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.03 -42.35 98.22 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.95 -53.73 30.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 38' ' ' CYS . . . -70.8 -64.79 2.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -40.94 -28.45 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' N ' ' C ' ' A' ' 36' ' ' GLY . 49.8 t -79.68 -56.38 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.05 -48.28 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 41' ' ' VAL . 32.2 m -68.55 -53.78 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 37' ' ' GLY . 3.0 t -43.46 -70.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -47.47 -56.64 6.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -43.68 77.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -58.59 -56.46 21.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.58 -55.72 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.13 -38.04 56.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -62.13 -47.38 84.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.118 . . . . 0.0 110.27 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.65 -61.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -60.55 172.58 0.86 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.512 ' HB2' HG21 ' A' ' 55' ' ' THR . 95.7 p 50.22 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.437 HH12 HG23 ' A' ' 59' ' ' ILE . 2.8 mtp85 -125.75 78.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.19 81.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.43 103.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.039 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.512 HG21 ' HB2' ' A' ' 51' ' ' SER . 2.7 t -170.2 34.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.4 tttp 59.62 40.51 20.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 59' ' ' ILE . 32.4 tpp -161.47 64.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.77 76.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 59' ' ' ILE . 7.8 tp -107.08 73.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -44.34 -55.13 5.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -175.52 -46.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 64' ' ' THR . 4.3 tp -140.1 -47.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -43.96 104.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 62' ' ' ILE . 10.1 t -173.46 168.27 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 6.2 mtm180 -126.81 -66.6 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 67' ' ' ALA . 12.6 p -56.13 -52.73 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.529 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -60.28 -30.6 69.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 65' ' ' ARG . . . -65.52 -45.43 83.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.39 -41.6 98.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.3 63.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -53.59 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -60.11 -54.38 46.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.67 -49.14 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -61.89 -24.87 65.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -71.47 -58.03 3.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 0.784 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 77' ' ' MET . 45.2 pt -58.84 -44.68 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' ILE . 11.4 mtt -66.48 -32.08 73.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.624 ' O ' HG12 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -68.23 -64.62 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 83' ' ' THR . . . -49.94 -40.9 35.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.22 -63.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 78' ' ' LEU . 9.0 p -56.16 -19.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.496 ' O ' ' CB ' ' A' ' 86' ' ' SER . 1.1 t80 -71.48 -60.79 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 79' ' ' GLY . 30.5 p -62.47 -28.1 69.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -67.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -62.88 -23.67 67.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.783 ' O ' HG22 ' A' ' 89' ' ' VAL . 28.5 t -73.37 -69.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.21 -34.38 56.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -45.69 -26.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 86' ' ' SER . 27.2 m -51.7 146.2 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 59.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.0 -50.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.7 tpp -103.2 120.62 41.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -164.05 -63.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -94.4 70.67 3.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 49.48 69.36 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 63.43 155.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -142.66 -90.08 0.13 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 65.07 119.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 pttm . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.496 0.189 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' ALA . 1.1 t -162.4 81.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.49 89.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -140.73 107.35 5.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.97 161.99 20.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.36 130.7 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.87 120.85 24.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 72.9 m95 64.36 104.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 108.018 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 9' ' ' VAL . 21.7 m -120.57 91.69 47.13 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 18.2 Cg_endo -75.06 142.03 27.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.4 Cg_endo -74.96 75.46 3.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t0 54.93 103.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.59 -51.73 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -84.73 69.82 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.99 110.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.8 m -59.79 -82.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 108.31 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 18' ' ' SER . 34.6 m -133.96 -53.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.511 ' N ' HG23 ' A' ' 17' ' ' VAL . 3.9 t 47.9 -174.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.039 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.8 -22.91 65.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -57.31 -68.05 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.879 ' O ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.67 -44.74 96.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -48.16 -42.36 29.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -76.16 -35.43 59.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -57.99 -69.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -41.05 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.649 ' H ' HG23 ' A' ' 25' ' ' THR . 0.6 OUTLIER 38.81 84.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -174.41 -150.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -48.28 174.31 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.03 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.675 HD13 ' HG2' ' A' ' 84' ' ' MET . 0.3 OUTLIER -91.77 -19.78 22.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -42.56 -51.18 11.93 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.99 -64.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' PRO . 67.1 mt -39.93 -51.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.6 -54.46 35.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tp -45.32 -60.23 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.72 -63.15 4.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.6 -19.75 6.8 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -56.66 4.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -53.75 -38.91 64.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.35 -66.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 t -44.2 -66.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.08 -58.06 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -45.26 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -41.39 -31.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.0 mt -50.82 -52.02 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -55.14 -59.37 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.41 ' HA ' ' NH1' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -40.01 -55.27 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -61.84 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 53.28 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' LEU . 74.6 m -109.87 134.75 51.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' CD ' ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -68.2 137.15 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' N ' ' CD ' ' A' ' 52' ' ' ARG . . . 160.19 173.52 28.83 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.95 141.95 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.1 p 40.69 60.1 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -168.54 -60.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -115.5 179.94 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.879 ' C ' HD13 ' A' ' 59' ' ' ILE . 1.0 OUTLIER 61.85 59.94 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.879 HD13 ' C ' ' A' ' 58' ' ' SER . 0.2 OUTLIER 39.01 70.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -39.85 108.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.583 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.565 HD12 HG21 ' A' ' 64' ' ' THR . 0.1 OUTLIER -172.96 -63.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 61' ' ' LEU . 5.5 pt 49.65 -179.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 46.8 40.75 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.614 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.565 HG21 HD12 ' A' ' 61' ' ' LEU . 14.9 t -173.69 166.14 4.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.06 -162.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ALA . 59.4 t -41.4 -51.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' VAL . . . -40.23 -66.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.564 ' HB2' ' N ' ' A' ' 64' ' ' THR . . . -46.88 -54.04 10.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.613 ' O ' HG22 ' A' ' 73' ' ' VAL . 12.5 tt0 -45.56 -67.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -51.97 -22.46 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -72.11 -50.36 28.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.5 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 69' ' ' GLN . 27.6 m -53.79 -34.08 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.04 -69.15 1.36 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -45.94 -55.07 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.9 mt -43.14 -70.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mmt -53.51 -19.95 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.469 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -66.88 -65.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.739 ' O ' HG23 ' A' ' 83' ' ' THR . . . -58.24 -38.53 90.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' O ' ' OG1' ' A' ' 83' ' ' THR . . . -59.93 -69.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 0.771 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' TYR . 21.9 t -49.25 -57.95 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.1 t80 -37.51 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 79' ' ' GLY . 66.5 p -54.17 -49.24 69.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.675 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -49.37 -70.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.481 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 4.2 t80 -53.75 -59.63 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 89' ' ' VAL . 72.2 m -39.11 -65.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' VAL . 4.7 t0 -50.48 -50.16 53.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 2.1 t80 -37.5 -33.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 86' ' ' SER . 63.7 t -46.78 132.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 58.0 4.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.02 81.34 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -173.49 174.08 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -131.14 148.68 52.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -83.22 51.42 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -53.42 6.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 66.57 71.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.69 -150.35 18.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 52.01 101.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.498 0.19 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.08 108.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -168.37 -59.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.456 ' C ' ' CD ' ' A' ' 5' ' ' ARG . 16.5 m120 62.44 93.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.456 ' CD ' ' C ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER 40.86 -162.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 175.3 124.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -166.77 136.42 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -161.59 148.44 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 108.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.0 t -143.46 92.02 6.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 18.3 Cg_endo -75.02 152.44 40.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.2 Cg_endo -75.01 -174.75 2.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.66 98.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -109.09 169.75 8.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.63 90.11 7.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.44 168.54 16.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.6 p -113.95 -40.53 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 108.32 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 18' ' ' SER . 27.2 m -124.9 -51.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.485 ' N ' HG23 ' A' ' 17' ' ' VAL . 2.5 t 51.99 175.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.029 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.01 -20.94 66.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -60.21 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.09 -49.06 75.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -66.27 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -50.98 -39.04 54.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.324 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -53.94 35.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -149.98 123.86 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' NE ' ' H ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -170.2 173.54 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' H ' ' NE ' ' A' ' 26' ' ' ARG . 3.7 mt-10 65.95 168.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.49 171.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.65 43.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.2 tt -100.09 -19.36 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.68 -48.92 58.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.95 -80.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.5 1.79 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' PRO . 43.8 pt -38.37 -44.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -65.38 -46.83 84.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' PRO . 10.5 tp -50.6 -56.84 9.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.25 -63.84 4.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.648 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -48.8 -22.3 2.77 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.9 t -78.11 -61.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.5 -53.12 3.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.828 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.5 p -61.26 -54.54 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 37' ' ' GLY . 2.3 t -44.54 -70.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -45.25 -38.96 5.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -50.13 -61.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -54.38 -45.24 72.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 mt -44.03 -61.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -38.25 -59.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -56.72 13.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tt -42.89 -54.59 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.0 151.83 40.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -178.49 72.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.36 146.51 28.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.43 -86.99 0.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.05 152.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 m -112.05 -54.46 2.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -137.96 -63.29 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -115.38 -34.82 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -171.44 157.45 4.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -116.64 -46.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -54.85 12.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.9 mt -79.47 129.14 34.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.8 mm -134.49 99.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 48.05 50.96 15.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.588 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.563 HG23 ' HB2' ' A' ' 67' ' ' ALA . 4.5 t -84.48 146.89 27.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.459 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.2 ptt-85 -90.85 -38.14 13.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -21.78 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB2' HG23 ' A' ' 64' ' ' THR . . . -73.22 -68.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.55 -35.46 13.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -64.81 -63.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.35 -20.09 10.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -69.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 108.233 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.573 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -55.99 -57.71 10.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.5 t -52.4 -56.21 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.14 -26.18 34.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.586 1.179 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -71.12 -59.09 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.4 pt -58.99 -29.21 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.592 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -72.64 -47.12 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.57 -42.21 98.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.64 -58.05 15.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.81 -38.74 76.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 77' ' ' MET . 3.3 t -58.48 -67.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.443 ' O ' ' CB ' ' A' ' 86' ' ' SER . 1.1 t80 -51.95 -36.94 51.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -55.08 -58.1 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -66.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -37.8 -51.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.581 ' O ' HG12 ' A' ' 89' ' ' VAL . 9.0 t -68.14 -47.67 67.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.3 OUTLIER -40.42 -44.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -37.77 -55.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 86' ' ' SER . 9.7 p -80.03 140.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -128.81 -79.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -154.32 36.98 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.066 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.642 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -153.62 164.78 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 92' ' ' MET . . . 79.66 61.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 58.53 70.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -144.43 -55.09 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.38 105.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.71 -157.43 32.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.82 136.66 51.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.779 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.35 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.483 0.182 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m 62.14 113.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.997 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 52.1 90.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.81 154.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.28 102.54 4.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.4 122.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -62.09 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.81 114.2 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 107.978 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.687 HG23 ' HD2' ' A' ' 10' ' ' PRO . 2.5 p -121.85 142.85 37.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -74.93 154.88 43.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.4 Cg_endo -74.99 158.65 42.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.793 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -125.12 113.74 18.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.68 148.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -109.48 84.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.75 120.61 28.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' C ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -57.23 -57.86 10.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.63 HG13 ' HB3' ' A' ' 21' ' ' LEU . 90.5 t -151.19 -77.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.56 170.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.7 -27.51 7.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -67.39 0.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.63 ' HB3' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -58.77 -42.81 89.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -39.64 41.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.13 -38.56 35.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -53.0 -44.28 67.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.3 m -44.32 -94.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.4 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' SER . 4.7 tp10 -174.32 -60.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.332 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -44.56 168.31 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' O ' HD12 ' A' ' 33' ' ' ILE . 18.4 Cg_endo -74.97 -174.6 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.759 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD21 HG12 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -93.99 -19.62 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -44.98 -50.24 26.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -75.03 -69.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 29' ' ' PRO . 15.7 mt -39.42 -36.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.01 -49.62 21.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -47.45 -46.68 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.16 -59.78 7.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.684 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -51.51 -20.25 5.26 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.21 -57.66 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -45.32 -45.16 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 41' ' ' VAL . 14.0 p -70.22 -46.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 37' ' ' GLY . 2.3 t -51.94 -70.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.535 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -48.55 -49.49 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -41.88 -56.64 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.22 -53.89 46.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.31 -60.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.6 mm -55.39 -56.63 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.8 -56.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -57.89 -47.2 83.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.42 -65.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -89.8 112.93 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.6 56.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.51 130.29 42.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.14 -66.16 0.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -51.79 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.965 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m 57.54 51.08 10.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.59 101.29 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.475 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.0 OUTLIER 70.5 -58.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 57' ' ' MET . 0.4 OUTLIER 83.94 -55.84 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.983 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.75 137.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -75.08 -24.55 58.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.626 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.9 mp -51.17 -52.34 45.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 62' ' ' ILE . 46.1 mt 53.28 76.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 0.6 OUTLIER 58.8 108.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.55 -53.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 1.3 ttp180 -155.36 -55.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 67' ' ' ALA . 34.5 m -62.18 -53.79 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.538 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -77.77 -57.24 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.72 -42.71 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 19.3 tt0 -73.33 -60.01 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.32 -33.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.56 -52.46 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -50.48 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 74' ' ' GLY . 17.9 m -59.81 -49.14 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -39.59 -52.49 3.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.99 -57.37 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.2 mt -40.72 -70.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -54.78 32.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 2.2 tp -40.24 -39.95 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.35 -52.58 8.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.79 -53.66 11.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 0.778 . . . . 0.0 109.373 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 82' ' ' TYR . 34.4 m -60.83 -50.8 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -39.32 -54.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.5 m -67.59 -37.58 82.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -69.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.38 -38.37 74.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 15.0 t -55.86 -61.22 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -34.07 72.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -49.67 -21.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 86' ' ' SER . 9.8 p -56.05 137.17 17.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -85.45 58.43 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.52 73.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -169.77 143.7 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -155.13 60.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 65.89 84.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.48 -56.42 21.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.55 -62.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.23 127.45 37.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.59 166.32 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 110.263 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.473 0.178 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.95 -65.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.61 161.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.7 t30 179.1 95.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.01 122.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.49 90.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.243 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 7' ' ' TRP . 36.5 t90 -145.68 41.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.028 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.725 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.3 p-90 -160.1 170.03 22.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 8' ' ' TRP . 0.9 OUTLIER 162.87 -51.64 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.07 148.66 35.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.3 Cg_endo -75.0 -68.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.01 179.91 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.91 -55.07 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -154.34 -59.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 59.87 55.58 3.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.6 m 60.98 -99.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.318 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.6 -46.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.99 174.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -24.44 14.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -65.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.4 -45.76 78.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -53.27 3.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -72.02 -40.34 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -49.42 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.37 122.02 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.87 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -178.33 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.4 167.71 8.86 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 171.78 17.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.94 -19.91 18.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.517 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -43.37 -50.9 15.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.04 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 33' ' ' ILE . 25.4 mm -40.29 -38.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.7 -50.24 15.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.46 -56.86 6.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 0.796 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 38' ' ' CYS . . . -62.83 -65.42 3.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.816 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -41.34 -27.46 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 39' ' ' LEU . 8.8 t -76.01 -61.64 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -40.06 -40.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.2 t -70.27 -51.57 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 37' ' ' GLY . 41.4 t -53.07 -70.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.83 -48.67 15.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -46.8 -52.98 12.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -66.82 -31.02 71.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -60.67 -60.34 3.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.45 -52.65 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -44.74 -52.88 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -55.24 37.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.4 tt -41.33 -54.25 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.824 HH12 HH21 ' A' ' 52' ' ' ARG . 0.1 OUTLIER -76.53 129.09 35.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.64 164.09 13.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.824 HH21 HH12 ' A' ' 50' ' ' ARG . 3.1 mmp_? -138.82 -66.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.06 177.6 40.46 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.454 1.096 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.9 m -134.84 141.42 46.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -95.79 -42.84 8.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -166.67 94.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.76 49.67 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.4 p 66.91 -179.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.3 mt 62.41 152.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -175.92 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.646 HD23 HG12 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -43.56 -74.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.646 HG12 HD23 ' A' ' 61' ' ' LEU . 30.3 mm -111.27 158.41 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.431 ' C ' HG23 ' A' ' 64' ' ' THR . 2.4 m80 -106.57 68.02 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.6 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.431 HG23 ' C ' ' A' ' 63' ' ' HIS . 41.9 p -151.87 -168.25 3.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.666 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 39.7 mtt180 -90.04 54.89 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.66 -63.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.74 96.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . . . -49.69 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' CYS . 37.4 mt-30 -48.2 -64.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . -40.46 -32.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.403 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -69.64 -63.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 108.294 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.98 -70.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -46.53 -57.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.99 -51.36 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.02 95.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.2 mt -54.46 -66.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.628 ' O ' HG23 ' A' ' 81' ' ' VAL . 20.2 ptm -54.89 -31.62 60.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 78' ' ' LEU . 1.7 tm? -60.72 -57.42 12.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.14 -55.18 31.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.9 -68.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 77' ' ' MET . 83.5 t -45.05 -61.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' LEU . 35.0 t80 -38.19 -55.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 m -54.36 -41.35 69.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -67.66 -70.07 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -44.36 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.412 ' O ' HG12 ' A' ' 89' ' ' VAL . 1.2 m -65.04 -60.37 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -44.4 -38.31 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -40.42 -44.86 2.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 86' ' ' SER . 5.0 p -42.36 124.16 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt 64.93 -80.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.45 -66.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 72.35 120.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.31 -54.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.95 45.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -126.51 -47.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.76 138.29 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.12 -142.5 0.12 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 42.87 80.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.546 0.213 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.62 166.08 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.041 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.73 170.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.11 111.87 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 168.14 9.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 58.28 159.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -160.26 122.76 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 108.014 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -50.84 142.62 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 107.993 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.3 154.06 88.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 151.25 39.54 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 150.54 38.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.23 -76.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -171.42 -66.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -169.87 85.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.314 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.63 150.78 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.465 ' O ' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -88.57 -61.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 108.296 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.666 HG13 HD22 ' A' ' 21' ' ' LEU . 62.2 t -129.92 -65.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.92 174.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -24.4 66.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -63.68 -66.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.666 HD22 HG13 ' A' ' 17' ' ' VAL . 1.9 tt -53.97 -47.48 71.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -44.31 -60.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -42.8 68.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -43.33 64.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 m -64.19 151.1 44.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -170.06 84.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 43.56 -162.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.25 135.99 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' HD12 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -75.03 -171.37 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.0 mm? -100.06 -19.04 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.03 -49.56 39.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -74.99 -79.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 29' ' ' PRO . 3.5 mt -37.89 -32.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -70.25 -53.39 13.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -51.05 -41.65 60.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.06 -69.45 1.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.88 -19.87 5.59 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.72 -69.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tt -41.77 -37.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.47 -62.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 t -49.19 -66.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.56 -59.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.654 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -40.86 -59.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.74 -48.73 66.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -56.9 10.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.654 HG22 ' O ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -60.63 -29.85 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.57 -47.17 82.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -72.23 -46.62 55.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -66.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.54 172.33 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.15 172.26 16.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.64 -55.4 2.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.53 77.66 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 0.0 111.047 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.76 -59.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.995 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 58' ' ' SER . 22.5 m -52.66 -39.61 62.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt 55.43 41.61 30.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.1 mtm 56.67 54.99 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.603 ' H ' HG22 ' A' ' 55' ' ' THR . 1.3 m 61.68 -177.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.959 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 tp -79.86 -26.03 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -110.35 -65.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.83 -74.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.564 HD13 ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -167.27 129.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -176.4 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.603 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.5 p 39.66 -149.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.29 -42.02 2.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.02 -54.85 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.73 -30.79 71.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.95 66.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' HG12 ' A' ' 73' ' ' VAL . 6.1 mm100 -59.39 -42.62 92.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HA ' HG12 ' A' ' 73' ' ' VAL . . . -68.11 -27.19 66.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.98 -40.64 71.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.96 -69.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 69' ' ' GLN . 9.7 p -52.42 -30.26 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.89 -49.81 39.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.95 76.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.7 mt -70.41 -69.58 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.719 ' O ' HG23 ' A' ' 81' ' ' VAL . 2.4 tpt -41.61 -60.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -59.77 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.44 -63.65 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.95 -55.19 21.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 77' ' ' MET . 72.7 t -43.96 -69.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -37.51 -55.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -49.11 -46.84 45.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' ASP . 3.8 mtt -68.71 -69.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -37.72 -37.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 m -78.91 -45.89 19.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' MET . 0.2 OUTLIER -54.18 -32.4 55.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -37.03 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 87' ' ' ASP . 9.4 p -59.63 123.43 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -41.37 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.94 52.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 59.46 120.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -149.72 -56.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -149.33 78.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.334 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -143.3 -55.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.342 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.51 -64.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.37 135.94 12.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -86.91 116.41 24.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.48 0.181 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 m -149.65 119.63 7.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.21 120.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.08 160.54 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.58 107.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.64 91.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -165.08 66.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.48 129.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 9' ' ' VAL . 35.9 m -124.53 75.79 62.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.48 3.8 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.35 18.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.479 1.779 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.21 -53.76 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.78 -56.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.56 -57.44 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.02 93.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.66 -65.05 0.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 108.312 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.528 HG12 ' N ' ' A' ' 18' ' ' SER . 7.8 t -95.35 -79.14 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.528 ' N ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER 60.44 177.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.049 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.86 -25.73 43.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -56.02 -59.72 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.42 -50.92 65.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.51 -40.81 1.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -50.73 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -30.05 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -38.87 148.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.18 -167.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -135.0 62.75 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.48 168.6 8.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.03 139.27 24.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.64 ' HA ' HG22 ' A' ' 33' ' ' ILE . 1.1 pp -99.43 -19.98 16.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.29 -49.83 79.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -75.01 -52.29 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.64 HG22 ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -49.75 -41.59 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.63 -56.79 8.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.3 -62.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.17 -62.39 5.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.747 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -50.03 -21.91 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -62.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 8.0 mp -45.41 -37.69 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.5 -62.32 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 37' ' ' GLY . 70.6 t -49.27 -70.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.51 -58.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -41.59 -60.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -52.11 45.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -48.61 -60.05 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' LEU . 35.9 mm -52.87 -64.59 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.93 -41.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -67.48 -46.94 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' ILE . 3.0 tt -63.77 -70.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.29 161.03 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.95 150.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -121.7 -42.0 2.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.55 -155.08 28.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.449 ' C ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER 61.99 137.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.987 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.449 HG22 ' C ' ' A' ' 54' ' ' SER . 1.3 t 41.44 71.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.392 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt 65.91 145.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.0 ttm -118.25 -56.03 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.4 m 61.42 147.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.41 HG23 ' ND1' ' A' ' 60' ' ' HIS . 9.4 tt -83.29 -23.67 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.41 ' ND1' HG23 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -179.85 51.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.58 141.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.7 mt -128.69 -72.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -147.85 -55.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.609 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 65' ' ' ARG . 3.6 m 47.65 -166.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.678 ' H ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -136.64 -45.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 67' ' ' ALA . 4.0 p -70.22 -48.02 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.448 ' N ' ' CG1' ' A' ' 66' ' ' VAL . . . -64.22 -40.48 96.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.41 58.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.33 89.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.43 -26.86 68.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -55.46 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.37 -65.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.2 t -50.52 -61.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.14 -56.12 4.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.09 -69.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.9 mt -40.72 -69.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.48 -37.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -69.65 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.74 -49.13 1.9 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.95 -68.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' MET . 9.2 t -41.02 -69.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.0 -55.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.2 m -49.45 -42.36 42.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -72.88 -68.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 8.5 t80 -37.43 -47.56 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.098 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.842 ' O ' HG12 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -69.61 -55.61 9.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.964 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 88' ' ' TYR . 10.6 t0 -41.61 -28.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.447 ' N ' ' C ' ' A' ' 86' ' ' SER . 90.7 t80 -36.58 -38.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.842 HG12 ' O ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -41.1 -82.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.696 ' H ' HG13 ' A' ' 89' ' ' VAL . 7.7 tttp 79.97 59.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.19 21.59 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.19 176.04 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -176.82 62.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -63.87 -42.47 97.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.71 69.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 56.99 79.06 0.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -54.25 -75.73 0.22 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.26 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.659 HG12 ' N ' ' A' ' 18' ' ' SER . 17.2 t -82.1 -88.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.659 ' N ' HG12 ' A' ' 17' ' ' VAL . 19.8 m 59.97 171.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' HA ' ' CB ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -51.35 -26.06 7.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -56.39 -68.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.969 ' O ' HG23 ' A' ' 25' ' ' THR . 0.5 OUTLIER -64.39 -21.07 66.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 19' ' ' GLU . 8.4 tp -60.29 -52.23 66.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -27.3 47.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.468 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.53 -46.73 83.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.969 HG23 ' O ' ' A' ' 21' ' ' LEU . 68.6 p -53.33 -172.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -169.97 -86.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 28' ' ' SER . 4.7 pt-20 179.99 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -39.08 156.63 0.13 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.13 7.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -97.13 -19.68 18.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.59 -50.16 52.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.6 Cg_endo -74.92 -74.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.77 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' PRO . 38.6 mt -39.12 -46.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -60.43 -61.25 7.29 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 tp -40.83 -59.08 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.6 -60.33 5.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.12 -19.76 25.09 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -45.96 35.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 4.3 tp -62.67 -41.18 98.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -67.79 -58.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' ALA . 11.2 t -52.81 -70.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -40.39 -53.32 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -46.79 -61.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.531 ' CG ' ' HB1' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -53.17 -31.07 40.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -66.43 -65.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 pt -49.77 -30.98 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -65.17 -58.78 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -57.3 -46.46 83.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -55.67 -52.05 65.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.41 -32.28 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.77 -49.7 36.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.4 91.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.65 -44.92 88.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.531 ' HB1' ' CG ' ' A' ' 44' ' ' TYR . . . -65.92 -28.66 69.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -59.31 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -59.95 -66.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -47.51 -58.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.02 -44.7 9.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -57.51 -56.15 25.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.5 mt -57.07 -69.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.32 -67.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 79' ' ' GLY . 5.3 tt -42.65 -63.78 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.76 -60.32 1.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.59 -62.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' MET . 56.3 t -40.49 -68.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -37.76 -58.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.8 m -47.29 -41.49 19.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' VAL . 18.9 mmt -73.27 -68.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -36.88 -44.51 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.14 -50.52 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.51 -26.96 3.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -38.66 -34.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 18' ' ' SER . 22.1 m -132.96 -48.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.434 ' N ' HG23 ' A' ' 17' ' ' VAL . 7.9 t 57.55 177.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.07 -21.32 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.06 -70.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HB3' ' CA ' ' A' ' 17' ' ' VAL . 4.8 tt -56.72 -39.9 74.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.64 -63.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -55.43 -31.97 62.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -56.44 -58.41 8.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -114.0 113.01 24.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 176.87 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.48 -65.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.11 169.82 17.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.59 30.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.807 ' C ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -96.16 -19.47 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.92 -51.12 41.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -40.28 -41.36 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.85 -56.0 14.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -46.72 -61.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.35 -62.84 4.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -51.83 -20.17 5.81 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -69.62 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -40.33 -40.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.483 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 58.7 t -67.68 -52.79 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 37' ' ' GLY . 15.5 t -53.9 -68.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.62 -51.28 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -43.17 -64.31 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -49.94 -60.09 3.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -65.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.0 mt -43.01 -58.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -41.52 -48.53 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -59.29 -47.12 86.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.51 ' C ' HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -54.55 -60.29 3.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.1 ptt180 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.8 t -45.79 -61.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.06 -45.95 43.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 65' ' ' ARG . . . -53.54 -47.62 69.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -60.94 -59.33 5.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.51 -27.84 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.92 -51.45 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.67 -68.28 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 69' ' ' GLN . 10.4 m -50.37 -43.08 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.576 ' O ' HD12 ' A' ' 78' ' ' LEU . . . -60.68 -33.84 84.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.0 -65.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -44.54 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.45 ' O ' HG22 ' A' ' 81' ' ' VAL . 6.3 mtt -61.46 -59.61 4.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -40.94 -45.67 2.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.19 -40.92 95.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -62.66 -64.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 77' ' ' MET . 30.9 m -49.75 -38.46 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 78' ' ' LEU . 1.8 m-85 -58.59 -57.82 11.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.0 m -55.13 -39.02 68.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -69.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -53.23 -19.87 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.67 ' O ' HG12 ' A' ' 89' ' ' VAL . 11.8 m -80.12 -70.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.7 -19.67 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.549 ' CD1' ' C ' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -54.47 -19.77 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.67 HG12 ' O ' ' A' ' 86' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.468 ' CG1' HD23 ' A' ' 22' ' ' LEU . 72.3 t -116.85 -84.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t 59.77 170.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -21.25 61.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -65.63 -59.9 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 21' ' ' LEU . 1.3 tm? -63.67 -40.18 96.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -54.18 -48.47 70.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -64.05 -47.14 81.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.75 -43.27 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.3 m -67.0 161.28 24.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLU . 2.6 ttp180 -176.32 83.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 44.84 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.78 147.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.758 HD13 ' HG2' ' A' ' 84' ' ' MET . 0.6 OUTLIER -100.0 -19.33 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -44.91 -50.06 26.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.03 -75.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.543 1.812 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' PRO . 43.6 mm -38.39 -51.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -60.62 -48.77 84.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 4.6 tp -47.61 -61.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.71 -62.38 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.657 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -52.48 -19.65 6.47 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 4.2 t -78.32 -44.7 24.52 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.711 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -65.05 -30.38 71.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.1 t -78.42 -65.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 37' ' ' GLY . 7.3 p -48.3 -42.68 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -69.33 -42.43 75.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -54.37 -45.47 72.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -66.5 -44.88 81.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -54.1 47.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 mt -55.53 -56.51 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -42.28 -47.84 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -57.63 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -41.48 -57.95 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.3 -70.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.61 -40.81 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.94 -51.64 69.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.781 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.9 mt-30 -62.24 -64.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -46.79 -30.1 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.62 -49.04 62.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 108.315 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.25 -69.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 69' ' ' GLN . 16.4 m -48.34 -32.92 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.36 -58.48 8.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.9 -58.25 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 77' ' ' MET . 8.3 tp -51.62 -50.67 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.585 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.2 mtp -51.45 -45.0 62.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -61.57 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.86 -59.91 6.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.6 -68.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 77' ' ' MET . 74.9 t -39.89 -70.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 86' ' ' SER . 3.6 t80 -37.45 -50.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.6 m -55.35 -49.69 71.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.758 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.31 -70.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -43.19 -38.51 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.665 ' O ' HG23 ' A' ' 89' ' ' VAL . 73.2 m -71.83 -44.23 64.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -53.46 -46.99 70.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -29.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 86' ' ' SER . 72.6 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.451 ' C ' HG23 ' A' ' 17' ' ' VAL . 11.6 p . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.746 HG13 ' HB3' ' A' ' 21' ' ' LEU . 79.4 t -155.09 -69.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m 61.29 171.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.029 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.25 -22.8 4.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -60.43 -69.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.913 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -63.15 -24.96 68.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -68.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -40.07 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -44.51 -64.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.913 HG22 ' O ' ' A' ' 21' ' ' LEU . 1.7 t -85.08 108.84 17.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -75.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.3 -80.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER 53.11 178.62 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 133.69 16.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.553 1.817 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.9 pp -95.5 -19.91 19.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.53 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.65 -51.05 73.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.5 Cg_endo -75.02 -71.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.3 mt -42.85 -35.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . -70.79 -48.55 33.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -47.84 79.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.27 -69.89 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -51.77 -19.85 5.37 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.5 t -75.29 -46.32 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -37.24 86.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.03 -70.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 42' ' ' ALA . 9.5 p -47.14 -53.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.526 ' N ' HG13 ' A' ' 41' ' ' VAL . . . -44.59 -54.39 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.82 -56.42 12.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -50.5 -37.88 41.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -67.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mt -44.53 -57.23 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -43.34 -56.55 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -56.24 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -60.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 32.3 mtm-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.1 t -49.86 -49.41 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.78 78.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . . . -51.2 -60.76 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.793 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.1 tt0 -50.33 -59.18 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -49.55 -28.97 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -49.79 55.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.57 -69.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 69' ' ' GLN . 21.2 m -48.89 -32.56 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.03 -69.78 1.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.18 -43.27 1.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.776 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.8 mm -58.99 -68.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.2 mmm -46.34 -60.44 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -51.94 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.72 -43.88 91.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -61.41 -64.65 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.76 -37.6 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.18 -45.16 95.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -61.7 -47.73 83.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.0 mtm -66.78 -70.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.436 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 38.8 t80 -39.88 -46.74 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.3 t -68.14 -45.77 72.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' VAL . 11.2 t0 -53.07 -27.17 18.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 78.4 t80 -37.49 -33.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.714 HG13 ' HB3' ' A' ' 21' ' ' LEU . 70.8 t -122.71 -48.85 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 t 53.49 173.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.91 -20.04 65.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -65.39 -63.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.714 ' HB3' HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -62.13 -42.06 98.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -48.96 -59.64 3.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -39.71 82.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -46.74 -56.73 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 m -157.98 134.6 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -178.37 81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.59 169.56 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.38 166.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.957 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.03 32.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -99.17 -19.73 17.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.527 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.58 -50.87 63.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' PRO . 22.8 mm -39.99 -37.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -66.76 -54.24 23.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.2 tm? -47.52 -48.8 27.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.73 -67.5 2.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.797 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -51.18 -19.88 4.29 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.9 t -73.14 -70.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 tt -41.81 -46.0 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 41.9 t -59.44 -51.56 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 37' ' ' GLY . 24.6 t -56.6 -67.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' CD ' ' A' ' 45' ' ' ARG . . . -39.94 -37.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -65.17 -54.03 35.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' VAL . 34.0 t80 -53.06 -61.57 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' CD ' ' HA ' ' A' ' 42' ' ' ALA . 13.6 ptt180 -51.76 -38.44 55.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 47' ' ' TYR . 4.2 mm -62.77 -71.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.519 ' N ' HG22 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -37.74 -44.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 ttp85 -62.34 -58.94 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 tp -50.68 -63.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.0 t -61.77 -69.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.73 -56.57 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.83 -67.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.817 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -46.4 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.431 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -41.06 -31.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -69.6 -55.57 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -60.21 -66.92 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 69' ' ' GLN . 11.4 m -50.59 -33.82 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -62.6 -47.65 87.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.7 -56.97 14.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.71 -68.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' LEU . 6.5 ttm -45.09 -64.09 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 28.1 tp -40.33 -66.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.34 -50.19 2.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.19 -66.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 84' ' ' MET . 58.7 t -40.51 -70.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -38.5 -60.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.9 m -46.41 -39.32 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 81' ' ' VAL . 5.3 tpp -73.0 -67.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -36.99 -39.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.829 ' O ' HG22 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -79.7 -58.93 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.035 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -42.08 -28.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.443 ' N ' ' C ' ' A' ' 86' ' ' SER . 8.3 t80 -35.77 -37.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 86' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.85 HG23 ' HB3' ' A' ' 21' ' ' LEU . 2.9 p -150.61 -58.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.587 ' H ' HG13 ' A' ' 17' ' ' VAL . 60.7 p 49.23 -174.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.26 -21.41 66.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -60.6 -69.43 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.85 ' HB3' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -61.55 -46.86 88.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tp -45.12 -68.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -46.5 44.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -42.74 -52.56 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -149.04 125.95 11.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 1.5 ptt180 -179.68 72.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -176.22 170.8 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.24 169.15 0.11 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.45 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.0 146.85 33.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -99.43 -19.92 16.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -52.3 -50.12 81.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.02 -70.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.1 mt -43.85 -32.19 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -71.79 -52.93 10.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -51.21 -47.6 62.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.19 -69.64 1.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -46.0 -24.03 1.27 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . 49.6 t -72.61 -67.87 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' CYS . 0.4 OUTLIER -40.41 -40.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 77.1 t -68.94 -57.14 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 37' ' ' GLY . 5.4 t -48.84 -66.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.95 -54.59 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -40.73 -60.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -55.87 -48.96 74.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -49.03 -65.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.0 mt -46.62 -62.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -38.43 -50.87 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -54.45 44.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.26 -65.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.489 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 5.5 mmt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 68.6 t -50.86 -40.29 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.24 -44.88 86.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 65' ' ' ARG . . . -57.24 -68.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -49.65 -32.94 14.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 66' ' ' VAL . . . -66.93 -34.76 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.77 -56.26 7.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -69.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -49.1 -61.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.37 -65.75 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.99 -55.66 2.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.2 mt -54.15 -69.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -38.68 -68.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' MET . 1.1 mp -39.85 -46.32 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.38 -69.66 1.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.84 -60.88 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.7 t -40.75 -66.05 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -37.92 -57.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -48.59 -64.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' ASP . 2.5 mmt -52.79 -70.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.453 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 2.6 t80 -36.84 -62.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -39.9 60.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 84' ' ' MET . 3.8 t70 -55.13 -42.2 72.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.453 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 42.6 t80 -37.68 -33.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.534 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -159.46 -46.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.12 172.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -28.07 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -55.1 -59.42 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 17' ' ' VAL . 3.0 mm? -69.38 -42.85 74.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -43.21 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -80.01 -55.58 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.4 -64.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.7 p -38.63 106.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -60.07 -173.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.168 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -109.75 41.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.61 170.83 4.95 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 158.43 42.21 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.834 HD22 ' C ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -99.51 -19.53 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.511 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -50.76 -51.59 64.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 -68.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.5 mm -42.24 -42.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -69.15 -43.51 71.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -56.1 20.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.69 -61.84 7.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -52.64 -20.12 7.34 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.2 m -78.94 -45.07 21.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -31.77 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.3 t -75.12 -70.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 37' ' ' GLY . 8.1 p -44.79 -49.41 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -56.01 -62.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.81 -49.31 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -44.95 96.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -55.01 -52.83 61.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mt -53.73 -55.25 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -45.69 -46.38 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -54.54 42.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.93 -53.71 5.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.53 -33.27 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.22 -52.01 46.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.76 -56.85 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -46.8 -52.64 13.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.39 -25.89 68.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.5 t -63.78 -51.35 65.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.47 -69.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.7 t -41.13 -46.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.45 -45.49 90.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 71' ' ' CYS . . . -50.17 -55.49 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.5 mt -59.43 -66.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.596 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -38.56 -34.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.01 -62.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.91 -54.91 26.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.7 -65.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 77' ' ' MET . 25.5 t -41.15 -57.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.36 -59.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -27.54 65.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -71.9 -70.05 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -56.57 -22.38 33.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.691 ' O ' HG13 ' A' ' 89' ' ' VAL . 30.1 t -78.19 -66.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.71 -28.63 49.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -50.37 -23.49 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 86' ' ' SER . 27.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 18' ' ' SER . 16.0 m -144.43 -49.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.4 ' N ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER 54.24 176.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -57.51 -26.87 61.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -57.55 -69.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.666 ' O ' HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -57.06 -32.95 66.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -65.96 -24.23 66.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -60.96 -69.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 21' ' ' LEU . 1.6 t -56.11 110.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 -59.96 179.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.59 61.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -115.29 178.58 0.94 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.95 147.67 34.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.4 pp -99.26 -19.93 16.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.524 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -50.15 -51.6 61.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.1 Cg_endo -75.01 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.5 mt -40.66 -35.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.72 -46.28 31.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -54.2 -50.12 67.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.48 -65.63 2.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.572 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -49.45 -21.58 3.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . 13.4 t -75.2 -68.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' CYS . 1.9 mp -40.33 -39.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.76 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 37' ' ' GLY . 32.1 t -49.33 -65.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -40.09 -57.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.87 -63.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.81 -53.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -57.19 -63.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.8 mt -42.63 -64.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -41.22 -46.86 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -50.87 68.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -51.25 70.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 m -46.65 -45.65 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.55 -59.08 5.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.16 -55.07 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -64.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.53 -31.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -55.5 7.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.32 -68.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.3 t -49.66 -50.04 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -50.49 -42.62 43.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.08 -69.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.8 mm -42.15 -68.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' LEU . 2.8 tpt -41.93 -64.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 7.7 tp -40.53 -66.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.82 -48.57 1.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.82 -57.1 14.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' MET . 79.4 t -48.11 -68.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -37.74 -53.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -50.59 -45.83 57.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' VAL . 8.8 mtt -71.5 -69.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -37.68 -37.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.3 t -77.89 -49.77 13.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -49.92 -26.69 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' ASP . 31.7 t80 -37.58 -39.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.2 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.419 ' CG1' ' HG ' ' A' ' 22' ' ' LEU . 24.7 t -147.52 -74.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.579 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 61.39 178.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -19.82 52.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -62.98 -70.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -45.14 84.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 18' ' ' SER . 3.6 mt -50.99 -69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -42.21 -50.52 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -57.45 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -130.79 124.08 30.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.76 73.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.63 160.77 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.67 165.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.05 41.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.659 ' HA ' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -96.41 -19.85 18.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.561 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.74 -49.34 73.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.0 -75.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -40.49 -31.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -73.59 -48.79 16.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -55.52 -51.79 65.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.17 -65.5 3.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 1.0 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -52.22 -19.69 6.05 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.7 m -76.1 -49.02 18.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -64.61 -25.76 68.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.2 t -74.3 -69.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.0 HG12 ' O ' ' A' ' 37' ' ' GLY . 3.9 p -51.63 -40.37 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -65.8 -45.96 80.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -51.22 -47.67 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -63.71 -47.19 82.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -53.1 -57.49 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.38 -63.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.15 -53.0 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -50.54 -55.89 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -65.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.9 t -48.74 -62.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.98 -61.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.65 -57.79 2.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -49.37 -62.69 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.3 -29.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -57.69 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.97 -68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -50.24 -59.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -41.38 -45.44 4.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 -61.36 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -50.42 -70.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 ttt -40.48 -60.11 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -44.44 -65.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.53 -53.28 1.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.31 78.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 78' ' ' LEU . 70.2 t -54.46 -61.94 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -44.13 -45.36 8.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -56.1 -52.31 64.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -70.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -36.77 -53.4 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.1 t -59.66 -50.32 74.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -48.42 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -38.96 -43.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 74.0 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.496 ' O ' HD11 ' A' ' 76' ' ' ILE . 1.8 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.0 t -134.82 -78.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.5 m 62.58 170.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -53.11 -23.78 8.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -61.59 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.15 -44.67 87.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.37 -51.2 4.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -52.5 22.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.63 -67.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.5 m -39.82 101.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -179.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -78.7 -177.01 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.482 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER 79.59 176.88 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.04 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.921 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -100.09 -19.48 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.907 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -46.48 -49.7 43.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.04 -70.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' PRO . 47.3 mt -39.76 -37.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -69.43 -51.2 27.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.32 -50.67 38.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.91 -64.95 3.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.462 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -51.91 -19.71 5.49 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.68 -66.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.648 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -52.95 -23.69 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.8 t -73.32 -70.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 42' ' ' ALA . 12.6 p -50.51 -54.09 10.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.543 ' N ' HG13 ' A' ' 41' ' ' VAL . . . -50.65 -58.76 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -40.73 -48.53 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.5 -47.16 82.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.61 -52.21 14.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.875 HD13 ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -67.74 -35.46 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -58.01 -42.45 85.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -77.14 -51.38 11.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.4 -49.74 3.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 67' ' ' ALA . 33.2 m -60.55 -52.12 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.506 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -66.16 -50.18 64.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.58 13.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.574 ' O ' HG22 ' A' ' 73' ' ' VAL . 3.3 mt-30 -61.74 -66.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -40.11 -30.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -70.15 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.302 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.05 -64.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 69' ' ' GLN . 16.4 m -52.97 -33.3 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.36 -32.02 78.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.65 -55.77 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.496 HD11 ' O ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -59.58 -35.34 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 73' ' ' VAL . 4.5 mmt -72.5 -66.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 78' ' ' LEU . 1.4 tm? -39.72 -42.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' TYR . . . -66.66 -58.78 7.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 83' ' ' THR . . . -44.04 -51.63 7.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 78' ' ' LEU . 12.0 p -62.91 -35.93 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.8 t80 -53.29 -59.64 4.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 80' ' ' ALA . 14.1 t -62.7 -37.11 85.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -70.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.423 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 87.1 t80 -54.61 -31.19 56.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -64.85 -70.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.6 -24.12 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.423 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 2.3 t80 -40.92 -30.98 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.348 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.639 ' O ' HD13 ' A' ' 21' ' ' LEU . 47.3 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 21' ' ' LEU . 85.4 t -100.8 -82.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 177.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.028 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 22' ' ' LEU . 38.8 mt-10 -54.89 -27.27 41.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -59.29 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -65.56 -52.31 53.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 19' ' ' GLU . 13.9 mt -40.41 -36.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -79.75 -57.11 3.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.27 -62.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 t -54.39 -168.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.99 -176.87 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 28' ' ' SER . 14.1 pt-20 -67.84 -50.53 56.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' ' CG ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -41.52 162.27 0.13 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 pp -95.66 -19.63 19.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -42.24 -51.19 11.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -53.25 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.0 mt -46.39 -40.95 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.12 -43.64 32.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.91 -55.98 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.47 -63.36 4.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.643 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -46.57 -23.97 1.56 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.3 t -77.32 -61.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.94 -55.05 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.846 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.2 p -59.3 -54.96 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 37' ' ' GLY . 2.4 t -44.14 -69.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.507 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -45.26 -37.07 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.846 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -52.83 -57.22 10.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -64.08 -42.35 96.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.2 -46.0 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.14 -61.61 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -45.73 82.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.95 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 67' ' ' ALA . 17.3 m -40.64 -50.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -61.46 -59.73 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -42.39 -66.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 71' ' ' CYS . 51.9 tt0 -45.3 -68.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -70.05 -70.2 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.673 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -48.81 -62.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 75' ' ' ALA . 41.9 t -50.58 -66.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.366 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -42.23 -27.23 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -73.92 -70.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 77' ' ' MET . 0.5 OUTLIER -48.37 -53.58 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.431 ' N ' HG23 ' A' ' 76' ' ' ILE . 2.7 ttm -53.56 -60.21 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.8 OUTLIER -40.5 -63.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.57 -65.11 2.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' GLY . . . -40.32 -69.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 84' ' ' MET . 69.1 t -39.97 -62.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 81' ' ' VAL . 4.2 t80 -37.27 -60.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.9 m -50.94 -43.27 60.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -64.35 -70.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.445 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 4.6 t80 -41.97 -58.86 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -49.25 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.35 -46.62 72.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.445 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 4.0 t80 -37.79 -34.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 t -120.04 -70.15 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.92 171.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -53.31 -21.03 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -60.17 -69.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -46.18 90.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.7 -54.23 2.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -45.35 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.07 -66.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -39.49 106.41 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -178.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.36 -168.13 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.56 166.04 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.03 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.1 tt -100.09 -18.71 16.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -45.25 -49.37 32.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.07 -81.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' PRO . 14.0 pt -36.29 -38.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -66.55 -53.59 27.5 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.0 -50.21 37.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.75 -66.43 2.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -19.44 6.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 11.1 t -74.16 -49.62 22.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -62.21 -34.23 76.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 88.0 t -74.47 -69.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -44.08 -43.23 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -67.31 -39.77 85.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -58.02 -41.55 83.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -70.57 -38.76 74.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -61.54 -46.57 89.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.5 mm -63.38 -57.0 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.78 -42.82 26.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -57.54 9.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.99 -57.25 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -48.45 -62.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.67 -62.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -43.43 -63.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.764 ' O ' HG22 ' A' ' 73' ' ' VAL . 2.1 mt-30 -44.11 -66.91 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -43.56 -31.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -68.04 -50.88 52.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -65.86 -69.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 69' ' ' GLN . 14.2 m -47.31 -33.43 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.08 -35.12 64.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -66.84 -53.11 35.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.766 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 77' ' ' MET . 0.9 OUTLIER -60.49 -51.92 67.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.446 ' N ' HG23 ' A' ' 76' ' ' ILE . 8.3 mtt -57.12 -67.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.1 tt -40.31 -64.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.4 -59.39 1.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' VAL . . . -52.71 -62.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 0.743 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' MET . 53.7 t -40.16 -67.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -39.06 -56.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -55.42 -38.39 68.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.458 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.02 -59.17 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -59.03 -24.62 62.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.7 m -79.42 -70.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -51.6 -27.24 10.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' VAL . 4.7 t80 -46.78 -37.45 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' TYR . 51.9 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' SG ' HG22 ' A' ' 17' ' ' VAL . 7.5 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.476 HG22 ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -143.71 -47.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.9 p 53.79 173.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -20.41 9.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HE2' HD22 ' A' ' 21' ' ' LEU . 2.4 tttt -62.95 -69.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.41 HD22 ' HE2' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -63.55 -30.11 71.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.89 -55.86 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -46.87 73.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -43.97 -58.51 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -39.01 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -56.94 -177.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.08 50.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.59 168.58 7.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.96 42.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLY . 4.7 tp -100.07 -19.8 16.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.531 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.87 -51.16 63.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -74.98 -73.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.4 mm -41.15 -33.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.09 -49.3 22.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -54.49 -53.68 51.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.16 -65.52 3.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.882 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -51.87 -19.83 5.54 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.9 m -78.51 -42.77 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 1.1 tp -66.47 -30.29 70.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.25 -63.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 37' ' ' GLY . 30.4 m -52.13 -42.27 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -65.76 -41.08 92.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -55.63 -55.15 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -58.49 -39.17 79.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -57.27 -59.63 4.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -59.12 -28.83 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -59.44 -61.94 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -42.11 98.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.69 -66.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 8.9 mtp-105 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.0 -60.27 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.34 79.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.64 -60.44 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -53.7 -61.01 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.25 -25.0 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -74.77 -50.21 18.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.08 -60.16 3.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 76' ' ' ILE . 87.4 t -58.19 -58.44 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.97 -34.67 16.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 71' ' ' CYS . . . -66.54 -70.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 73' ' ' VAL . 2.0 tp -41.91 -45.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttt -59.5 -60.24 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 81' ' ' VAL . 3.6 tp -40.39 -56.2 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.674 ' O ' HG23 ' A' ' 83' ' ' THR . . . -54.54 -44.41 78.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.26 -64.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 78' ' ' LEU . 25.9 m -48.26 -28.99 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.472 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -66.33 -55.54 15.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 79' ' ' GLY . 40.0 p -58.05 -32.29 67.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -70.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -52.16 -28.53 18.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.805 ' O ' HG22 ' A' ' 89' ' ' VAL . 73.1 m -77.33 -64.83 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' TYR . 4.3 t70 -45.91 -25.91 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.417 ' N ' ' C ' ' A' ' 86' ' ' SER . 1.7 t80 -36.94 -38.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 86' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.503 HG13 ' H ' ' A' ' 18' ' ' SER . 3.0 p -141.26 -55.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.503 ' H ' HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER 51.37 -176.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.03 -21.13 66.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.76 -68.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CB ' HG23 ' A' ' 17' ' ' VAL . 3.8 mm? -62.14 -40.54 96.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 22' ' ' LEU . 1.3 tm? -48.56 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -41.05 61.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 -62.17 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m -135.65 130.45 34.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -179.4 164.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 66.45 174.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.75 165.27 0.13 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.515 ' O ' HD12 ' A' ' 33' ' ' ILE . 18.5 Cg_endo -74.99 135.83 19.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.99 -20.61 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.527 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.47 -51.44 69.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -74.98 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 29' ' ' PRO . 81.6 mt -47.66 -53.62 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.03 -42.35 98.22 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.95 -53.73 30.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 38' ' ' CYS . . . -70.8 -64.79 2.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -40.94 -28.45 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' N ' ' C ' ' A' ' 36' ' ' GLY . 49.8 t -79.68 -56.38 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.05 -48.28 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 41' ' ' VAL . 32.2 m -68.55 -53.78 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 37' ' ' GLY . 3.0 t -43.46 -70.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -47.47 -56.64 6.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -43.68 77.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -58.59 -56.46 21.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.58 -55.72 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.13 -38.04 56.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -62.13 -47.38 84.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.118 . . . . 0.0 110.27 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.65 -61.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 6.2 mtm180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 67' ' ' ALA . 12.6 p -56.13 -52.73 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.529 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -60.28 -30.6 69.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 65' ' ' ARG . . . -65.52 -45.43 83.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.39 -41.6 98.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.3 63.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -53.59 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -60.11 -54.38 46.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.67 -49.14 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -61.89 -24.87 65.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -71.47 -58.03 3.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 0.784 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 77' ' ' MET . 45.2 pt -58.84 -44.68 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' ILE . 11.4 mtt -66.48 -32.08 73.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.624 ' O ' HG12 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -68.23 -64.62 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 83' ' ' THR . . . -49.94 -40.9 35.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.22 -63.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 78' ' ' LEU . 9.0 p -56.16 -19.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.496 ' O ' ' CB ' ' A' ' 86' ' ' SER . 1.1 t80 -71.48 -60.79 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 79' ' ' GLY . 30.5 p -62.47 -28.1 69.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -67.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -62.88 -23.67 67.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.783 ' O ' HG22 ' A' ' 89' ' ' VAL . 28.5 t -73.37 -69.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.21 -34.38 56.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -45.69 -26.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 86' ' ' SER . 27.2 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 18' ' ' SER . 34.6 m -133.96 -53.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.511 ' N ' HG23 ' A' ' 17' ' ' VAL . 3.9 t 47.9 -174.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.039 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.8 -22.91 65.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -57.31 -68.05 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.879 ' O ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.67 -44.74 96.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -48.16 -42.36 29.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -76.16 -35.43 59.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -57.99 -69.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -41.05 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.649 ' H ' HG23 ' A' ' 25' ' ' THR . 0.6 OUTLIER 38.81 84.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -174.41 -150.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -48.28 174.31 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.03 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.675 HD13 ' HG2' ' A' ' 84' ' ' MET . 0.3 OUTLIER -91.77 -19.78 22.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -42.56 -51.18 11.93 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.99 -64.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' PRO . 67.1 mt -39.93 -51.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.6 -54.46 35.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tp -45.32 -60.23 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.72 -63.15 4.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.6 -19.75 6.8 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -56.66 4.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -53.75 -38.91 64.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.35 -66.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 t -44.2 -66.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.08 -58.06 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -45.26 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -41.39 -31.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.0 mt -50.82 -52.02 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -55.14 -59.37 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.41 ' HA ' ' NH1' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -40.01 -55.27 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ALA . 59.4 t -41.4 -51.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' VAL . . . -40.23 -66.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -46.88 -54.04 10.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.613 ' O ' HG22 ' A' ' 73' ' ' VAL . 12.5 tt0 -45.56 -67.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -51.97 -22.46 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -72.11 -50.36 28.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.5 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 69' ' ' GLN . 27.6 m -53.79 -34.08 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.04 -69.15 1.36 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -45.94 -55.07 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.9 mt -43.14 -70.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mmt -53.51 -19.95 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.469 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -66.88 -65.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.739 ' O ' HG23 ' A' ' 83' ' ' THR . . . -58.24 -38.53 90.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' O ' ' OG1' ' A' ' 83' ' ' THR . . . -59.93 -69.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 0.771 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' TYR . 21.9 t -49.25 -57.95 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.1 t80 -37.51 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 79' ' ' GLY . 66.5 p -54.17 -49.24 69.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.675 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -49.37 -70.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.481 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 4.2 t80 -53.75 -59.63 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 89' ' ' VAL . 72.2 m -39.11 -65.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' VAL . 4.7 t0 -50.48 -50.16 53.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 2.1 t80 -37.5 -33.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 86' ' ' SER . 63.7 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 18' ' ' SER . 27.2 m -124.9 -51.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.485 ' N ' HG23 ' A' ' 17' ' ' VAL . 2.5 t 51.99 175.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.029 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.01 -20.94 66.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -60.21 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.09 -49.06 75.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -66.27 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -50.98 -39.04 54.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.324 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -53.94 35.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -149.98 123.86 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' NE ' ' H ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -170.2 173.54 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' H ' ' NE ' ' A' ' 26' ' ' ARG . 3.7 mt-10 65.95 168.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.49 171.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.65 43.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.2 tt -100.09 -19.36 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.68 -48.92 58.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.95 -80.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.5 1.79 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' PRO . 43.8 pt -38.37 -44.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -65.38 -46.83 84.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' PRO . 10.5 tp -50.6 -56.84 9.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.25 -63.84 4.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.648 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -48.8 -22.3 2.77 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.9 t -78.11 -61.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.5 -53.12 3.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.828 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.5 p -61.26 -54.54 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 37' ' ' GLY . 2.3 t -44.54 -70.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.524 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -45.25 -38.96 5.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -50.13 -61.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -54.38 -45.24 72.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 mt -44.03 -61.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -38.25 -59.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -56.72 13.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tt -42.89 -54.59 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.2 ptt-85 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -21.78 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.22 -68.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.55 -35.46 13.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -64.81 -63.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.35 -20.09 10.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -69.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 108.233 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.573 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -55.99 -57.71 10.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.5 t -52.4 -56.21 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.14 -26.18 34.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.586 1.179 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -71.12 -59.09 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.4 pt -58.99 -29.21 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.592 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -72.64 -47.12 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.57 -42.21 98.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.64 -58.05 15.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.81 -38.74 76.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 77' ' ' MET . 3.3 t -58.48 -67.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.443 ' O ' ' CB ' ' A' ' 86' ' ' SER . 1.1 t80 -51.95 -36.94 51.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -55.08 -58.1 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -66.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -37.8 -51.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.581 ' O ' HG12 ' A' ' 89' ' ' VAL . 9.0 t -68.14 -47.67 67.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.3 OUTLIER -40.42 -44.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -37.77 -55.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 86' ' ' SER . 9.7 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' C ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.63 HG13 ' HB3' ' A' ' 21' ' ' LEU . 90.5 t -151.19 -77.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.56 170.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.7 -27.51 7.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -67.39 0.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.63 ' HB3' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -58.77 -42.81 89.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -39.64 41.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.13 -38.56 35.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -53.0 -44.28 67.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.3 m -44.32 -94.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.4 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' SER . 4.7 tp10 -174.32 -60.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.332 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -44.56 168.31 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' O ' HD12 ' A' ' 33' ' ' ILE . 18.4 Cg_endo -74.97 -174.6 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.759 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD21 HG12 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -93.99 -19.62 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -44.98 -50.24 26.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -75.03 -69.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 29' ' ' PRO . 15.7 mt -39.42 -36.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.01 -49.62 21.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -47.45 -46.68 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.16 -59.78 7.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.684 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -51.51 -20.25 5.26 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.21 -57.66 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -45.32 -45.16 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 41' ' ' VAL . 14.0 p -70.22 -46.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 37' ' ' GLY . 2.3 t -51.94 -70.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.535 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -48.55 -49.49 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -41.88 -56.64 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.22 -53.89 46.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.31 -60.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.6 mm -55.39 -56.63 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.8 -56.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -57.89 -47.2 83.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.42 -65.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 1.3 ttp180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 67' ' ' ALA . 34.5 m -62.18 -53.79 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.538 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -77.77 -57.24 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.72 -42.71 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 19.3 tt0 -73.33 -60.01 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.32 -33.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.56 -52.46 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -50.48 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 74' ' ' GLY . 17.9 m -59.81 -49.14 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -39.59 -52.49 3.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.99 -57.37 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.2 mt -40.72 -70.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -54.78 32.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 2.2 tp -40.24 -39.95 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.35 -52.58 8.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.79 -53.66 11.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 0.778 . . . . 0.0 109.373 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 82' ' ' TYR . 34.4 m -60.83 -50.8 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -39.32 -54.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.5 m -67.59 -37.58 82.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -69.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.38 -38.37 74.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 15.0 t -55.86 -61.22 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -34.07 72.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -49.67 -21.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 86' ' ' SER . 9.8 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.6 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.6 -46.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.99 174.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -24.44 14.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -65.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.4 -45.76 78.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -53.27 3.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -72.02 -40.34 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -49.42 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.37 122.02 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.87 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -178.33 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.4 167.71 8.86 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 171.78 17.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.94 -19.91 18.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.517 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -43.37 -50.9 15.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.04 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 33' ' ' ILE . 25.4 mm -40.29 -38.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.7 -50.24 15.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.46 -56.86 6.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 0.796 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 38' ' ' CYS . . . -62.83 -65.42 3.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.816 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -41.34 -27.46 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 39' ' ' LEU . 8.8 t -76.01 -61.64 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -40.06 -40.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.2 t -70.27 -51.57 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 37' ' ' GLY . 41.4 t -53.07 -70.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.83 -48.67 15.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -46.8 -52.98 12.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -66.82 -31.02 71.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -60.67 -60.34 3.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.45 -52.65 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -44.74 -52.88 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -55.24 37.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.4 tt -41.33 -54.25 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.666 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 39.7 mtt180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.66 -63.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.74 96.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . . . -49.69 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' CYS . 37.4 mt-30 -48.2 -64.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . -40.46 -32.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.403 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -69.64 -63.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 108.294 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.98 -70.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -46.53 -57.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.99 -51.36 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.02 95.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.2 mt -54.46 -66.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.628 ' O ' HG23 ' A' ' 81' ' ' VAL . 20.2 ptm -54.89 -31.62 60.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 78' ' ' LEU . 1.7 tm? -60.72 -57.42 12.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.14 -55.18 31.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.9 -68.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 77' ' ' MET . 83.5 t -45.05 -61.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' LEU . 35.0 t80 -38.19 -55.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 m -54.36 -41.35 69.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -67.66 -70.07 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -44.36 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.412 ' O ' HG12 ' A' ' 89' ' ' VAL . 1.2 m -65.04 -60.37 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -44.4 -38.31 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -40.42 -44.86 2.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 86' ' ' SER . 5.0 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.465 ' O ' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.666 HG13 HD22 ' A' ' 21' ' ' LEU . 62.2 t -129.92 -65.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.92 174.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -24.4 66.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -63.68 -66.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.666 HD22 HG13 ' A' ' 17' ' ' VAL . 1.9 tt -53.97 -47.48 71.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -44.31 -60.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -42.8 68.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -43.33 64.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 m -64.19 151.1 44.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -170.06 84.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 43.56 -162.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.25 135.99 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' HD12 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -75.03 -171.37 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.0 mm? -100.06 -19.04 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.03 -49.56 39.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -74.99 -79.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 29' ' ' PRO . 3.5 mt -37.89 -32.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -70.25 -53.39 13.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -51.05 -41.65 60.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.06 -69.45 1.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.88 -19.87 5.59 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.72 -69.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tt -41.77 -37.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.47 -62.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 t -49.19 -66.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.56 -59.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.654 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -40.86 -59.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.74 -48.73 66.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -56.9 10.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.654 HG22 ' O ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -60.63 -29.85 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.57 -47.17 82.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -72.23 -46.62 55.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -66.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.02 -54.85 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.73 -30.79 71.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.95 66.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' HG12 ' A' ' 73' ' ' VAL . 6.1 mm100 -59.39 -42.62 92.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HA ' HG12 ' A' ' 73' ' ' VAL . . . -68.11 -27.19 66.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.98 -40.64 71.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.96 -69.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 69' ' ' GLN . 9.7 p -52.42 -30.26 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.89 -49.81 39.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.95 76.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.7 mt -70.41 -69.58 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.719 ' O ' HG23 ' A' ' 81' ' ' VAL . 2.4 tpt -41.61 -60.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -59.77 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.44 -63.65 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.95 -55.19 21.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 77' ' ' MET . 72.7 t -43.96 -69.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -37.51 -55.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -49.11 -46.84 45.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' ASP . 3.8 mtt -68.71 -69.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -37.72 -37.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 m -78.91 -45.89 19.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' MET . 0.2 OUTLIER -54.18 -32.4 55.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -37.03 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 87' ' ' ASP . 9.4 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.528 HG12 ' N ' ' A' ' 18' ' ' SER . 7.8 t -95.35 -79.14 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.528 ' N ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER 60.44 177.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.049 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.86 -25.73 43.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -56.02 -59.72 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.42 -50.92 65.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.51 -40.81 1.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -50.73 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -30.05 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -38.87 148.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.18 -167.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -135.0 62.75 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.48 168.6 8.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.03 139.27 24.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.64 ' HA ' HG22 ' A' ' 33' ' ' ILE . 1.1 pp -99.43 -19.98 16.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.29 -49.83 79.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -75.01 -52.29 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.64 HG22 ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -49.75 -41.59 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.63 -56.79 8.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.3 -62.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.17 -62.39 5.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.747 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -50.03 -21.91 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -62.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 8.0 mp -45.41 -37.69 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.5 -62.32 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 37' ' ' GLY . 70.6 t -49.27 -70.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.51 -58.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -41.59 -60.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -52.11 45.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -48.61 -60.05 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' LEU . 35.9 mm -52.87 -64.59 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.93 -41.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -67.48 -46.94 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' ILE . 3.0 tt -63.77 -70.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 67' ' ' ALA . 4.0 p -70.22 -48.02 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.448 ' N ' ' CG1' ' A' ' 66' ' ' VAL . . . -64.22 -40.48 96.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.41 58.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.33 89.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.43 -26.86 68.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -55.46 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.37 -65.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.2 t -50.52 -61.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.14 -56.12 4.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.09 -69.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.9 mt -40.72 -69.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.48 -37.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -69.65 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.74 -49.13 1.9 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.95 -68.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' MET . 9.2 t -41.02 -69.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.0 -55.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.2 m -49.45 -42.36 42.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -72.88 -68.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 8.5 t80 -37.43 -47.56 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.098 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.842 ' O ' HG12 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -69.61 -55.61 9.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.964 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 88' ' ' TYR . 10.6 t0 -41.61 -28.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.447 ' N ' ' C ' ' A' ' 86' ' ' SER . 90.7 t80 -36.58 -38.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.842 HG12 ' O ' ' A' ' 86' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.522 0.201 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -125.69 -58.32 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . -179.86 72.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 74.88 -60.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 62.15 170.81 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 62.06 141.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -163.35 166.25 23.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 107.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -159.57 152.89 22.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 108.022 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.671 ' O ' HG13 ' A' ' 9' ' ' VAL . 10.5 p -157.31 91.34 2.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 18.5 Cg_endo -74.93 149.25 36.76 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.535 1.808 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.2 Cg_endo -75.07 -48.32 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.767 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -43.96 164.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.79 87.55 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 46.64 40.73 8.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 59.84 171.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -146.08 -96.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 108.252 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG12 ' N ' ' A' ' 18' ' ' SER . 17.2 t -82.1 -88.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.659 ' N ' HG12 ' A' ' 17' ' ' VAL . 19.8 m 59.97 171.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' HA ' ' CB ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -51.35 -26.06 7.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mttp -56.39 -68.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.969 ' O ' HG23 ' A' ' 25' ' ' THR . 0.5 OUTLIER -64.39 -21.07 66.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 19' ' ' GLU . 8.4 tp -60.29 -52.23 66.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -27.3 47.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.53 -46.73 83.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.969 HG23 ' O ' ' A' ' 21' ' ' LEU . 68.6 p -53.33 -172.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -169.97 -86.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 28' ' ' SER . 4.7 pt-20 179.99 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -39.08 156.63 0.13 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.13 7.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -97.13 -19.68 18.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.59 -50.16 52.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.6 Cg_endo -74.92 -74.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.77 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' PRO . 38.6 mt -39.12 -46.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -60.43 -61.25 7.29 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.8 tp -40.83 -59.08 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.6 -60.33 5.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.12 -19.76 25.09 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -45.96 35.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 4.3 tp -62.67 -41.18 98.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -67.79 -58.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' ALA . 11.2 t -52.81 -70.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -40.39 -53.32 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -46.79 -61.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.531 ' CG ' ' HB1' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -53.17 -31.07 40.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -66.43 -65.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 pt -49.77 -30.98 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -65.17 -58.78 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -57.3 -46.46 83.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -55.67 -52.05 65.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -76.43 168.56 19.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 t -111.0 78.34 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -124.94 164.33 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.12 -53.61 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 t 71.11 69.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -129.82 -51.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.92 63.0 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.86 37.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.6 p -160.57 76.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 41.6 pt -99.45 28.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.93 -54.07 2.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.565 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 68.85 72.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.466 HG23 ' N ' ' A' ' 63' ' ' HIS . 1.2 tp -164.93 -52.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.466 ' N ' HG23 ' A' ' 62' ' ' ILE . 2.1 t60 -93.9 72.82 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.572 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.675 ' OG1' ' HB3' ' A' ' 67' ' ' ALA . 67.6 p -124.64 -152.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.54 -66.06 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.41 -32.28 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.675 ' HB3' ' OG1' ' A' ' 64' ' ' THR . . . -71.77 -49.7 36.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.4 91.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -64.65 -44.92 88.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.531 ' HB1' ' CG ' ' A' ' 44' ' ' TYR . . . -65.92 -28.66 69.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -59.31 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -59.95 -66.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -47.51 -58.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.02 -44.7 9.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -57.51 -56.15 25.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.5 mt -57.07 -69.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.32 -67.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 79' ' ' GLY . 5.3 tt -42.65 -63.78 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.76 -60.32 1.25 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.59 -62.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' MET . 56.3 t -40.49 -68.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -37.76 -58.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.8 m -47.29 -41.49 19.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' VAL . 18.9 mmt -73.27 -68.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -36.88 -44.51 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.14 -50.52 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.51 -26.96 3.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -38.66 -34.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 90' ' ' LYS . 77.7 t -48.49 165.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.499 ' N ' HG12 ' A' ' 89' ' ' VAL . 4.5 mttt -40.46 -59.97 1.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 171.22 -37.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.58 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -170.11 164.64 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 92' ' ' MET . . . 76.49 58.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -91.4 76.34 5.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -104.04 67.9 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -79.96 166.78 21.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.61 145.78 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -122.56 115.85 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.529 0.204 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -122.28 125.43 45.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.52 -60.11 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 56.07 103.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.36 -60.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.4 110.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.0 92.53 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 19.5 p90 -68.13 160.56 28.77 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 m -114.03 93.46 30.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.31 16.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.783 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 162.61 36.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -52.37 -55.02 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -179.05 -63.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -141.8 101.5 3.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -136.93 128.0 27.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -76.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 108.347 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 18' ' ' SER . 22.1 m -132.96 -48.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.434 ' N ' HG23 ' A' ' 17' ' ' VAL . 7.9 t 57.55 177.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.07 -21.32 66.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.06 -70.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HB3' ' CA ' ' A' ' 17' ' ' VAL . 4.8 tt -56.72 -39.9 74.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.64 -63.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -55.43 -31.97 62.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -56.44 -58.41 8.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -114.0 113.01 24.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 176.87 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.48 -65.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.11 169.82 17.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.59 30.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.807 ' C ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -96.16 -19.47 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.92 -51.12 41.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -40.28 -41.36 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.85 -56.0 14.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -46.72 -61.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.35 -62.84 4.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.783 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -51.83 -20.17 5.81 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -69.62 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -40.33 -40.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.483 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 58.7 t -67.68 -52.79 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 37' ' ' GLY . 15.5 t -53.9 -68.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.62 -51.28 4.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -43.17 -64.31 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -49.94 -60.09 3.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -65.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.0 mt -43.01 -58.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -41.52 -48.53 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -59.29 -47.12 86.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.51 ' C ' HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -54.55 -60.29 3.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.52 144.43 13.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.09 144.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.043 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.63 130.12 22.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.41 -133.14 2.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.24 -58.21 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 m -157.44 -60.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -115.39 168.12 10.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 49.0 92.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 m -179.61 173.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mp 63.02 151.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 53.71 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.99 69.37 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 27.3 mm 62.62 94.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -43.3 112.47 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -131.37 -51.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 7.1 ptt180 -157.23 -44.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.8 t -45.79 -61.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.06 -45.95 43.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 65' ' ' ARG . . . -53.54 -47.62 69.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -60.94 -59.33 5.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.51 -27.84 7.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.92 -51.45 18.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.67 -68.28 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 69' ' ' GLN . 10.4 m -50.37 -43.08 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.576 ' O ' HD12 ' A' ' 78' ' ' LEU . . . -60.68 -33.84 84.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.0 -65.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -44.54 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.45 ' O ' HG22 ' A' ' 81' ' ' VAL . 6.3 mtt -61.46 -59.61 4.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 0.2 OUTLIER -40.94 -45.67 2.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.19 -40.92 95.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -62.66 -64.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 77' ' ' MET . 30.9 m -49.75 -38.46 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 78' ' ' LEU . 1.8 m-85 -58.59 -57.82 11.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.0 m -55.13 -39.02 68.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -69.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -53.23 -19.87 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.67 ' O ' HG12 ' A' ' 89' ' ' VAL . 11.8 m -80.12 -70.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.7 -19.67 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.549 ' CD1' ' C ' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -54.47 -19.77 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.703 HG13 ' H ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -39.92 -80.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.703 ' H ' HG13 ' A' ' 89' ' ' VAL . 3.9 mttt 60.6 59.98 2.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.75 76.69 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.5 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 1.2 ttp 59.6 119.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.048 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 92' ' ' MET . . . 71.98 148.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -105.27 -54.63 2.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.77 -52.32 60.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.1 159.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -138.67 -86.03 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 65.67 152.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.35 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.3 tttm . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.479 0.181 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -103.25 97.45 7.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.92 108.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.93 90.75 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.67 128.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HB3' ' CE3' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -51.63 -178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CE3' ' HB3' ' A' ' 6' ' ' ARG . 23.4 m-90 53.55 -177.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 72.51 -64.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 p 40.51 88.46 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.44 20.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.29 4.85 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.04 -70.9 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.89 92.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.99 123.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -94.58 102.51 14.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -140.32 -70.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.258 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.468 ' CG1' HD23 ' A' ' 22' ' ' LEU . 72.3 t -116.85 -84.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t 59.77 170.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -21.25 61.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -65.63 -59.9 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 21' ' ' LEU . 1.3 tm? -63.67 -40.18 96.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -54.18 -48.47 70.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -64.05 -47.14 81.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.75 -43.27 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.3 m -67.0 161.28 24.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLU . 2.6 ttp180 -176.32 83.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 44.84 -169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.78 147.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.758 HD13 ' HG2' ' A' ' 84' ' ' MET . 0.6 OUTLIER -100.0 -19.33 16.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -44.91 -50.06 26.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.03 -75.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.543 1.812 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' PRO . 43.6 mm -38.39 -51.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -60.62 -48.77 84.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 4.6 tp -47.61 -61.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.71 -62.38 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.657 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -52.48 -19.65 6.47 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 4.2 t -78.32 -44.7 24.52 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.711 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -65.05 -30.38 71.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.1 t -78.42 -65.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 37' ' ' GLY . 7.3 p -48.3 -42.68 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -69.33 -42.43 75.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -54.37 -45.47 72.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -66.5 -44.88 81.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -54.1 47.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.0 mt -55.53 -56.51 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -42.28 -47.84 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -57.63 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -41.48 -57.95 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.87 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 134.86 54.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.66 120.94 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.98 -152.12 1.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 t -166.85 -60.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.011 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 p -138.27 -54.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.416 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.81 124.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.8 tpp 40.98 84.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 t -54.55 148.19 12.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.2 pt -80.31 55.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -131.33 70.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.604 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 64' ' ' THR . 6.9 mt -130.71 68.52 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.17 -47.15 85.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -93.22 11.26 28.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.606 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.444 ' O ' HD22 ' A' ' 61' ' ' LEU . 17.4 m 66.32 -73.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 63' ' ' HIS . 13.2 mtp180 -92.15 48.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.3 -70.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.61 -40.81 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.94 -51.64 69.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.781 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.9 mt-30 -62.24 -64.45 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -46.79 -30.1 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.62 -49.04 62.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 108.315 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.25 -69.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 69' ' ' GLN . 16.4 m -48.34 -32.92 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.36 -58.48 8.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.9 -58.25 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 77' ' ' MET . 8.3 tp -51.62 -50.67 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.585 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.2 mtp -51.45 -45.0 62.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -61.57 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.86 -59.91 6.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.6 -68.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 77' ' ' MET . 74.9 t -39.89 -70.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 86' ' ' SER . 3.6 t80 -37.45 -50.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.6 m -55.35 -49.69 71.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.758 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -65.31 -70.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -43.19 -38.51 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.665 ' O ' HG23 ' A' ' 89' ' ' VAL . 73.2 m -71.83 -44.23 64.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -53.46 -46.99 70.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -29.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 86' ' ' SER . 72.6 t -47.77 -81.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 79.59 55.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.46 27.82 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.64 -177.97 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -177.88 55.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -43.84 -62.22 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 53.92 69.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 63.22 90.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.39 98.54 1.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.96 90.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.78 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 ttt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.503 0.192 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.6 121.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 65.34 145.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 179.13 108.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -134.5 146.11 49.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.1 153.81 14.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.1 p90 -136.44 133.31 36.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 108.03 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.413 ' C ' HG22 ' A' ' 9' ' ' VAL . 6.4 m-90 -114.63 -61.69 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 8' ' ' TRP . 16.0 m 40.54 64.97 4.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 18.4 Cg_endo -74.95 165.41 31.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -17.45 19.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 49.26 94.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.71 140.08 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -39.97 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.364 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 t0 51.11 88.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.451 ' C ' HG23 ' A' ' 17' ' ' VAL . 11.6 p -68.64 -47.07 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.746 HG13 ' HB3' ' A' ' 21' ' ' LEU . 79.4 t -155.09 -69.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m 61.29 171.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.029 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.25 -22.8 4.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -60.43 -69.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.913 ' O ' HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -63.15 -24.96 68.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.31 -68.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -40.07 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -44.51 -64.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.913 HG22 ' O ' ' A' ' 21' ' ' LEU . 1.7 t -85.08 108.84 17.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -75.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.3 -80.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.506 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER 53.11 178.62 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 133.69 16.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.553 1.817 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.9 pp -95.5 -19.91 19.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.53 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.65 -51.05 73.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.5 Cg_endo -75.02 -71.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 53.3 mt -42.85 -35.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . -70.79 -48.55 33.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -47.84 79.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.27 -69.89 1.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.459 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -51.77 -19.85 5.37 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.5 t -75.29 -46.32 34.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -37.24 86.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.0 t -66.03 -70.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 42' ' ' ALA . 9.5 p -47.14 -53.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.526 ' N ' HG13 ' A' ' 41' ' ' VAL . . . -44.59 -54.39 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.82 -56.42 12.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -50.5 -37.88 41.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -67.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mt -44.53 -57.23 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -43.34 -56.55 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -56.24 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -60.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -48.8 122.12 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t 67.07 125.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.65 158.5 16.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.3 123.05 1.12 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.108 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.5 p -107.3 83.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 94.2 m 46.07 58.03 4.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.69 75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.4 tpt -174.83 144.32 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 m 59.95 65.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.5 mt 66.63 -77.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.426 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.65 -47.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.563 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.901 ' O ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -167.44 -78.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.901 HD13 ' O ' ' A' ' 61' ' ' LEU . 4.4 mm -139.13 175.18 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.652 ' H ' HG22 ' A' ' 62' ' ' ILE . 2.2 m80 -56.91 -59.29 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.632 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.4 m -130.67 52.49 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 32.3 mtm-85 46.6 29.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.1 t -49.86 -49.41 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.491 ' HB3' HG13 ' A' ' 62' ' ' ILE . . . -57.3 -48.78 78.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . . . -51.2 -60.76 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.793 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.1 tt0 -50.33 -59.18 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -49.55 -28.97 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -49.79 55.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.57 -69.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 69' ' ' GLN . 21.2 m -48.89 -32.56 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.03 -69.78 1.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.552 1.158 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.18 -43.27 1.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.776 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.8 mm -58.99 -68.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.2 mmm -46.34 -60.44 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.99 -51.94 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.72 -43.88 91.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -61.41 -64.65 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.76 -37.6 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -61.18 -45.16 95.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -61.7 -47.73 83.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.428 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.0 mtm -66.78 -70.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.436 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 38.8 t80 -39.88 -46.74 2.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.3 t -68.14 -45.77 72.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' VAL . 11.2 t0 -53.07 -27.17 18.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 78.4 t80 -37.49 -33.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -44.82 166.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -45.41 -64.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.71 -61.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.07 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . . . -130.61 69.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.4 mm-40 -38.93 -55.42 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 70.13 -61.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 94' ' ' GLN . . . -64.82 91.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -42.96 -91.53 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.56 1.163 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 48.75 82.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.497 0.189 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -83.38 136.06 34.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.22 -61.07 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.05 92.38 9.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.8 82.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.7 162.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 63.86 145.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -177.53 78.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 107.985 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 9' ' ' VAL . 13.7 p -149.47 86.92 5.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 154.98 42.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 160.83 39.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -135.8 -53.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.59 173.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -144.64 153.99 42.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.6 p-10 -146.75 84.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.6 m 64.91 -97.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 108.309 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.714 HG13 ' HB3' ' A' ' 21' ' ' LEU . 70.8 t -122.71 -48.85 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 t 53.49 173.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.91 -20.04 65.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -65.39 -63.75 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.714 ' HB3' HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -62.13 -42.06 98.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -48.96 -59.64 3.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -39.71 82.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -46.74 -56.73 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 m -157.98 134.6 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 tpt85 -178.37 81.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.59 169.56 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.38 166.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.957 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.03 32.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -99.17 -19.73 17.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.527 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.58 -50.87 63.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' PRO . 22.8 mm -39.99 -37.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -66.76 -54.24 23.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.2 tm? -47.52 -48.8 27.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.73 -67.5 2.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.797 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -51.18 -19.88 4.29 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.9 t -73.14 -70.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 tt -41.81 -46.0 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 41.9 t -59.44 -51.56 71.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 37' ' ' GLY . 24.6 t -56.6 -67.4 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' CD ' ' A' ' 45' ' ' ARG . . . -39.94 -37.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -65.17 -54.03 35.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' VAL . 34.0 t80 -53.06 -61.57 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' CD ' ' HA ' ' A' ' 42' ' ' ALA . 13.6 ptt180 -51.76 -38.44 55.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 47' ' ' TYR . 4.2 mm -62.77 -71.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.519 ' N ' HG22 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -37.74 -44.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 ttp85 -62.34 -58.94 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 tp -50.68 -63.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.8 175.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.4 ' CB ' ' HD3' ' A' ' 56' ' ' LYS . 60.5 p -140.79 140.65 34.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.944 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 -58.33 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.46 -70.01 0.29 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -58.71 -57.65 12.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.0 p -83.63 60.42 5.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HD3' ' CB ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -162.8 64.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.2 tpt -148.34 77.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.09 177.66 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 pt -78.26 89.29 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.232 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 56.28 30.35 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.571 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.51 64.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 62' ' ' ILE . 59.7 mt -136.79 63.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.49 58.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.552 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.498 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.3 m -153.94 138.66 17.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -50.83 71.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.0 t -61.77 -69.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 64' ' ' THR . . . -40.73 -56.57 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 64' ' ' THR . . . -44.83 -67.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.817 ' O ' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -46.4 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.431 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -41.06 -31.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.406 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -69.6 -55.57 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -60.21 -66.92 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 69' ' ' GLN . 11.4 m -50.59 -33.82 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -62.6 -47.65 87.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.7 -56.97 14.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.71 -68.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' LEU . 6.5 ttm -45.09 -64.09 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 28.1 tp -40.33 -66.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.34 -50.19 2.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.19 -66.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 84' ' ' MET . 58.7 t -40.51 -70.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -38.5 -60.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.9 m -46.41 -39.32 10.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 81' ' ' VAL . 5.3 tpp -73.0 -67.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -36.99 -39.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.829 ' O ' HG22 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -79.7 -58.93 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.035 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -42.08 -28.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.443 ' N ' ' C ' ' A' ' 86' ' ' SER . 8.3 t80 -35.77 -37.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -43.44 -91.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.623 ' H ' HG23 ' A' ' 89' ' ' VAL . 0.8 OUTLIER 58.91 17.11 5.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -144.98 87.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.428 ' CG ' ' O ' ' A' ' 92' ' ' MET . 9.8 ptt? -75.96 119.97 20.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -152.11 -64.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.28 79.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -113.66 -55.83 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.93 120.78 4.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -38.83 -73.61 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -56.07 113.23 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mmm . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.499 0.19 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 t -147.74 152.9 38.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.75 -60.82 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 176.3 91.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 43.16 91.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -76.72 104.7 7.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -97.18 87.59 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.44 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -57.0 110.41 0.81 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 107.987 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.608 HG13 ' HD2' ' A' ' 10' ' ' PRO . 69.2 t -49.62 141.23 13.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.608 ' HD2' HG13 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.04 172.27 16.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 65.19 6.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.4 120.84 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -150.74 111.43 4.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -76.6 78.85 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.72 160.69 22.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -48.2 7.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 108.291 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.85 HG23 ' HB3' ' A' ' 21' ' ' LEU . 2.9 p -150.61 -58.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.587 ' H ' HG13 ' A' ' 17' ' ' VAL . 60.7 p 49.23 -174.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.26 -21.41 66.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -60.6 -69.43 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.85 ' HB3' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -61.55 -46.86 88.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tp -45.12 -68.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -46.5 44.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -42.74 -52.56 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -149.04 125.95 11.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 26' ' ' ARG . 1.5 ptt180 -179.68 72.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -176.22 170.8 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.24 169.15 0.11 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.45 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.0 146.85 33.13 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -99.43 -19.92 16.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -52.3 -50.12 81.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.02 -70.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.1 mt -43.85 -32.19 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -71.79 -52.93 10.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -51.21 -47.6 62.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.19 -69.64 1.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -46.0 -24.03 1.27 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . 49.6 t -72.61 -67.87 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' CYS . 0.4 OUTLIER -40.41 -40.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 77.1 t -68.94 -57.14 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 37' ' ' GLY . 5.4 t -48.84 -66.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.95 -54.59 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -40.73 -60.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -55.87 -48.96 74.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -49.03 -65.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.0 mt -46.62 -62.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -38.43 -50.87 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -54.45 44.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.26 -65.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -59.57 149.11 31.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.45 105.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.165 . . . . 0.0 109.962 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -40.85 94.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 55' ' ' THR . . . 92.03 -92.86 1.74 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.16 -65.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 0.788 . . . . 0.0 110.045 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' GLY . 50.0 p -124.25 62.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.6 tttp 176.48 152.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.06 -64.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 56' ' ' LYS . 1.4 t -50.2 -55.09 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mt -104.6 72.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -177.66 -55.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' ILE . 5.7 mt -48.46 -68.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 61' ' ' LEU . 7.1 pt 51.32 178.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.04 97.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.6 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' ARG . 95.7 m 63.47 65.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.489 ' HB2' ' HB3' ' A' ' 68' ' ' ALA . 5.5 mmt180 -38.61 100.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 68.6 t -50.86 -40.29 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.24 -44.88 86.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 65' ' ' ARG . . . -57.24 -68.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -49.65 -32.94 14.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 66' ' ' VAL . . . -66.93 -34.76 78.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.77 -56.26 7.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -69.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -49.1 -61.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.37 -65.75 0.93 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.99 -55.66 2.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.2 mt -54.15 -69.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -38.68 -68.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 111.025 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' MET . 1.1 mp -39.85 -46.32 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.38 -69.66 1.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.84 -60.88 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.7 t -40.75 -66.05 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -37.92 -57.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.2 m -48.59 -64.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' ASP . 2.5 mmt -52.79 -70.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.453 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 2.6 t80 -36.84 -62.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -39.9 60.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 84' ' ' MET . 3.8 t70 -55.13 -42.2 72.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.453 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 42.6 t80 -37.68 -33.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p -45.15 146.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 91' ' ' ARG . 11.8 pttt -41.69 -49.08 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 90' ' ' LYS . 0.4 OUTLIER 164.4 109.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -121.3 120.36 34.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -131.5 134.13 45.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.07 68.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -174.26 -56.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -87.18 -61.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.93 -136.14 8.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' LYS . 28.7 mt-10 -121.75 127.36 50.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.527 0.203 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.1 135.91 57.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.02 65.65 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -178.83 138.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -145.22 95.86 2.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -65.44 164.95 12.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -106.85 142.16 36.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.022 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -120.91 154.63 35.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.0 m -100.5 154.48 37.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.117 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 153.32 41.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -174.33 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.1 t0 178.18 71.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -167.66 -177.1 3.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -55.19 92.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.25 95.93 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.534 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -126.16 -63.27 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -159.46 -46.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.12 172.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -28.07 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -55.1 -59.42 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 17' ' ' VAL . 3.0 mm? -69.38 -42.85 74.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.51 -43.21 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -80.01 -55.58 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.4 -64.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.7 p -38.63 106.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.386 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -60.07 -173.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.57 1.168 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -109.75 41.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.61 170.83 4.95 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 158.43 42.21 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.834 ' C ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -99.51 -19.53 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.511 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -50.76 -51.59 64.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 -68.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.5 mm -42.24 -42.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -69.15 -43.51 71.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -56.1 20.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.69 -61.84 7.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -52.64 -20.12 7.34 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.2 m -78.94 -45.07 21.19 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -31.77 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.3 t -75.12 -70.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 37' ' ' GLY . 8.1 p -44.79 -49.41 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -56.01 -62.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.81 -49.31 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -44.95 96.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -55.01 -52.83 61.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mt -53.73 -55.25 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -45.69 -46.38 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -54.54 42.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.93 -53.71 5.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.02 173.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.3 t 62.39 120.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.2 166.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.45 59.53 1.57 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.91 95.92 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.427 ' O ' HG22 ' A' ' 55' ' ' THR . 52.3 m 62.48 51.61 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.05 85.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.61 -33.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.049 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.778 ' O ' HG23 ' A' ' 59' ' ' ILE . 6.0 p -122.28 134.92 54.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 58' ' ' SER . 1.1 pt -168.93 -42.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.514 ' O ' HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -151.43 -46.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.583 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.63 77.87 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.647 HD13 ' H ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -132.69 20.01 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -44.03 7.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 m -115.2 169.36 9.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.413 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -89.48 47.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.53 -33.27 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.22 -52.01 46.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.76 -56.85 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -46.8 -52.64 13.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.39 -25.89 68.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 1.5 t -63.78 -51.35 65.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.47 -69.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.7 t -41.13 -46.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.45 -45.49 90.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 71' ' ' CYS . . . -50.17 -55.49 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.5 mt -59.43 -66.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.596 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -38.56 -34.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.01 -62.1 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.91 -54.91 26.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.7 -65.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 77' ' ' MET . 25.5 t -41.15 -57.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.36 -59.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -27.54 65.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -71.9 -70.05 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -56.57 -22.38 33.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.691 ' O ' HG13 ' A' ' 89' ' ' VAL . 30.1 t -78.19 -66.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.71 -28.63 49.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -50.37 -23.49 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 86' ' ' SER . 27.7 m -50.59 176.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -176.33 103.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.52 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 17.7 ttp -131.11 120.04 22.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 92' ' ' MET . . . 73.05 80.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.37 -47.47 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 1.4 p-10 -178.5 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 95' ' ' ASP . . . 69.09 -67.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 95' ' ' ASP . . . -95.15 104.83 3.19 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.33 170.65 4.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 0.8 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.517 0.199 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.23 111.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.15 175.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -155.38 155.29 33.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -174.7 117.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -179.63 169.89 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.0 t90 67.69 63.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.04 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -136.63 72.01 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 107.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.03 106.64 12.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.365 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 18.5 Cg_endo -74.91 149.0 36.48 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.3 Cg_endo -75.06 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 51.32 178.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.08 -49.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -165.38 -60.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 60.12 153.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -98.58 -75.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 18' ' ' SER . 16.0 m -144.43 -49.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.4 ' N ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER 54.24 176.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -57.51 -26.87 61.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -57.55 -69.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.666 ' O ' HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -57.06 -32.95 66.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -65.96 -24.23 66.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -60.96 -69.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 21' ' ' LEU . 1.6 t -56.11 110.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 -59.96 179.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.59 61.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -115.29 178.58 0.94 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.95 147.67 34.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.798 . . . . 0.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.4 pp -99.26 -19.93 16.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.524 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -50.15 -51.6 61.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.1 Cg_endo -75.01 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.778 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.5 mt -40.66 -35.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.72 -46.28 31.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -54.2 -50.12 67.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.48 -65.63 2.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.572 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -49.45 -21.58 3.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . 13.4 t -75.2 -68.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' CYS . 1.9 mp -40.33 -39.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.9 t -66.76 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 37' ' ' GLY . 32.1 t -49.33 -65.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -40.09 -57.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.87 -63.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.81 -53.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -57.19 -63.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.8 mt -42.63 -64.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -41.22 -46.86 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -50.87 68.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.95 -51.25 70.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.44 -70.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.69 -70.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.66 106.17 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.0 77.76 1.2 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 76.0 p -123.31 170.84 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -61.95 -61.93 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.465 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -120.3 -64.15 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -178.44 154.37 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -177.27 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.06 111.31 16.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 44.27 65.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.599 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.6 tp -129.25 -65.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.8 mm 59.12 87.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 34.2 t60 -160.08 35.7 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.0 p -118.68 -173.91 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.28 -53.96 2.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.2 m -46.65 -45.65 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.55 -59.08 5.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.16 -55.07 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -64.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.53 -31.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.247 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -55.5 7.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 108.313 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.32 -68.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.3 t -49.66 -50.04 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -50.49 -42.62 43.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.08 -69.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.8 mm -42.15 -68.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' LEU . 2.8 tpt -41.93 -64.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.431 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 7.7 tp -40.53 -66.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.82 -48.57 1.9 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.82 -57.1 14.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' MET . 79.4 t -48.11 -68.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -37.74 -53.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -50.59 -45.83 57.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.396 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' VAL . 8.8 mtt -71.5 -69.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -37.68 -37.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.3 t -77.89 -49.77 13.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -49.92 -26.69 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' ASP . 31.7 t80 -37.58 -39.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.5 t -53.78 122.73 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -45.77 -74.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 176.7 43.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 68.55 121.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.09 -68.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -140.29 68.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.81 -57.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 60.42 173.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -68.87 -83.08 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -124.43 116.31 22.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.525 0.203 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -135.99 100.74 4.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.38 168.43 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -81.67 122.74 28.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.93 143.61 22.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 39.52 38.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -116.52 104.89 11.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 107.984 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 178.66 149.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.607 HG23 ' HD2' ' A' ' 10' ' ' PRO . 4.1 p -157.84 141.99 11.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.03 170.73 19.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' ASP . 18.2 Cg_endo -75.01 -35.31 3.2 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' PRO . 27.7 m-20 58.12 160.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 174.9 164.33 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -59.32 114.19 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -156.36 172.51 18.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.2 m -125.67 -61.95 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' CG1' ' HG ' ' A' ' 22' ' ' LEU . 24.7 t -147.52 -74.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.579 ' O ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 61.39 178.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -19.82 52.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -62.98 -70.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.37 -45.14 84.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 18' ' ' SER . 3.6 mt -50.99 -69.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -42.21 -50.52 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -57.45 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -130.79 124.08 30.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.76 73.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.63 160.77 2.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.67 165.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.05 41.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.659 ' HA ' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -96.41 -19.85 18.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.561 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.74 -49.34 73.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.0 -75.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -40.49 -31.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -73.59 -48.79 16.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -55.52 -51.79 65.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.17 -65.5 3.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 1.0 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -52.22 -19.69 6.05 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.7 m -76.1 -49.02 18.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -64.61 -25.76 68.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.2 t -74.3 -69.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.0 HG12 ' O ' ' A' ' 37' ' ' GLY . 3.9 p -51.63 -40.37 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -65.8 -45.96 80.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -51.22 -47.67 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -63.71 -47.19 82.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -53.1 -57.49 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.38 -63.57 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.15 -53.0 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -50.54 -55.89 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -65.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.43 99.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 p 172.95 177.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -123.57 76.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 130.29 -75.08 0.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -172.25 -62.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 t -175.76 -45.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.58 76.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 70.45 -59.05 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 t 63.29 95.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.6 mm -90.36 71.81 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 69.67 64.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.573 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 44.45 90.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.1 pt -143.49 -180.0 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 t60 70.05 127.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.582 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER 66.43 115.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.402 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -29.54 56.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.9 t -48.74 -62.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' H ' HG22 ' A' ' 64' ' ' THR . . . -40.98 -61.83 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.65 -57.79 2.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -49.37 -62.69 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.3 -29.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -57.69 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.97 -68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -50.24 -59.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -41.38 -45.44 4.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.11 -61.36 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.6 mt -50.42 -70.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 ttt -40.48 -60.11 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -44.44 -65.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' LEU . . . -37.53 -53.28 1.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.31 78.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.729 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 78' ' ' LEU . 70.2 t -54.46 -61.94 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -44.13 -45.36 8.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -56.1 -52.31 64.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -70.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -36.77 -53.4 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.1 t -59.66 -50.32 74.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -48.42 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -38.96 -43.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 91' ' ' ARG . 74.0 t -46.67 122.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -83.24 59.99 5.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.527 ' HB2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -145.71 82.75 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -177.55 150.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -177.26 48.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -155.54 -58.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 97' ' ' GLY . 7.5 t70 59.05 69.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.63 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' ASP . . . -162.28 133.02 2.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.36 138.76 14.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.533 0.206 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -172.69 112.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.55 155.88 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.95 103.56 7.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 147.8 52.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -76.46 77.68 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 61.93 162.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -108.74 155.23 20.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.029 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t 61.01 94.47 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.86 15.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -178.96 4.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.787 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -155.15 89.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -93.47 -51.57 4.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -121.03 82.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.32 98.92 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.496 ' O ' HD11 ' A' ' 76' ' ' ILE . 1.8 t -174.44 -72.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 108.341 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.0 t -134.82 -78.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.5 m 62.58 170.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -53.11 -23.78 8.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -61.59 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.15 -44.67 87.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.37 -51.2 4.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -52.5 22.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.63 -67.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.5 m -39.82 101.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -179.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -78.7 -177.01 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.482 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER 79.59 176.88 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.04 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.921 ' O ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -100.09 -19.48 16.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.907 ' N ' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -46.48 -49.7 43.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.04 -70.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' PRO . 47.3 mt -39.76 -37.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -69.43 -51.2 27.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.32 -50.67 38.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.91 -64.95 3.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.462 ' O ' HG12 ' A' ' 41' ' ' VAL . . . -51.91 -19.71 5.49 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.68 -66.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.648 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -52.95 -23.69 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.8 t -73.32 -70.48 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 42' ' ' ALA . 12.6 p -50.51 -54.09 10.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.543 ' N ' HG13 ' A' ' 41' ' ' VAL . . . -50.65 -58.76 5.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -40.73 -48.53 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.5 -47.16 82.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.61 -52.21 14.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.875 HD13 ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -67.74 -35.46 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -58.01 -42.45 85.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -77.14 -51.38 11.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.4 -49.74 3.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.86 164.47 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.52 145.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.073 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -142.32 135.57 28.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.57 -66.14 0.33 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' LYS . 4.6 m 67.63 138.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 110.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 49.9 m 67.75 -67.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.4 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -70.42 -41.28 73.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.1 ttp -166.72 126.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -159.25 -70.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.858 HD11 HD12 ' A' ' 62' ' ' ILE . 49.2 pt -123.54 -42.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.19 160.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.611 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER 68.32 37.28 2.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.858 HD12 HD11 ' A' ' 59' ' ' ILE . 2.9 tt -109.47 119.79 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -91.82 23.44 3.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 109.606 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.3 m 50.65 60.63 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -166.66 -41.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 67' ' ' ALA . 33.2 m -60.55 -52.12 65.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.677 ' HB2' HD11 ' A' ' 62' ' ' ILE . . . -66.16 -50.18 64.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.58 13.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.574 ' O ' HG22 ' A' ' 73' ' ' VAL . 3.3 mt-30 -61.74 -66.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -40.11 -30.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -70.15 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.302 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.05 -64.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 69' ' ' GLN . 16.4 m -52.97 -33.3 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.36 -32.02 78.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.65 -55.77 5.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.496 HD11 ' O ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -59.58 -35.34 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.491 ' CG ' ' O ' ' A' ' 73' ' ' VAL . 4.5 mmt -72.5 -66.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 78' ' ' LEU . 1.4 tm? -39.72 -42.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' TYR . . . -66.66 -58.78 7.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 83' ' ' THR . . . -44.04 -51.63 7.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 78' ' ' LEU . 12.0 p -62.91 -35.93 73.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.8 t80 -53.29 -59.64 4.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 80' ' ' ALA . 14.1 t -62.7 -37.11 85.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -70.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.423 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 87.1 t80 -54.61 -31.19 56.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -64.85 -70.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.6 -24.12 19.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.423 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 2.3 t80 -40.92 -30.98 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.6 m -46.18 163.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.348 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.27 -65.85 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.95 -53.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -42.0 120.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.95 -67.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 73.77 95.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.69 -55.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.71 -59.56 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.01 -168.45 41.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.09 170.52 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.51 0.195 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -88.81 99.17 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.84 93.01 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -166.75 -56.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -38.92 119.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.72 130.5 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -60.65 149.79 34.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.0 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -54.87 131.71 44.85 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 4.0 m -80.98 145.03 56.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.97 152.66 41.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.14 43.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -70.15 -50.45 40.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t70 178.17 -49.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.74 -48.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.71 141.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.639 ' O ' HD13 ' A' ' 21' ' ' LEU . 47.3 t -125.34 -74.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 21' ' ' LEU . 85.4 t -100.8 -82.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.6 177.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.028 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 22' ' ' LEU . 38.8 mt-10 -54.89 -27.27 41.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -59.29 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -65.56 -52.31 53.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 19' ' ' GLU . 13.9 mt -40.41 -36.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -79.75 -57.11 3.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.27 -62.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 t -54.39 -168.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.99 -176.87 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 28' ' ' SER . 14.1 pt-20 -67.84 -50.53 56.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' ' CG ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -41.52 162.27 0.13 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 pp -95.66 -19.63 19.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -42.24 -51.19 11.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.96 -53.25 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.0 mt -46.39 -40.95 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.12 -43.64 32.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.91 -55.98 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.47 -63.36 4.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.643 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -46.57 -23.97 1.56 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.3 t -77.32 -61.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.94 -55.05 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.846 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.2 p -59.3 -54.96 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 37' ' ' GLY . 2.4 t -44.14 -69.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.507 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -45.26 -37.07 4.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.846 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -52.83 -57.22 10.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -64.08 -42.35 96.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -70.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -52.2 -46.0 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.14 -61.61 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -45.73 82.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.95 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.9 167.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.86 142.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.952 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -40.45 117.97 0.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -112.55 93.37 0.68 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.46 -179.96 6.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 0.725 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.3 m -59.35 131.56 51.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt 63.58 92.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.26 -54.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.7 m -129.35 158.81 38.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.29 47.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -120.76 52.21 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.96 83.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.2 mp 51.35 85.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -172.37 -55.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.585 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.434 ' CG2' ' HB3' ' A' ' 67' ' ' ALA . 14.4 t -82.08 168.05 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.57 -51.37 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 67' ' ' ALA . 17.3 m -40.64 -50.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.434 ' HB3' ' CG2' ' A' ' 64' ' ' THR . . . -61.46 -59.73 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -42.39 -66.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 71' ' ' CYS . 51.9 tt0 -45.3 -68.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.31 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -70.05 -70.2 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.673 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -48.81 -62.85 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 75' ' ' ALA . 41.9 t -50.58 -66.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.366 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -42.23 -27.23 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -73.92 -70.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 77' ' ' MET . 0.5 OUTLIER -48.37 -53.58 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.431 ' N ' HG23 ' A' ' 76' ' ' ILE . 2.7 ttm -53.56 -60.21 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 0.8 OUTLIER -40.5 -63.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -49.57 -65.11 2.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' GLY . . . -40.32 -69.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 84' ' ' MET . 69.1 t -39.97 -62.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 81' ' ' VAL . 4.2 t80 -37.27 -60.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.9 m -50.94 -43.27 60.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -64.35 -70.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.445 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 4.6 t80 -41.97 -58.86 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.97 -49.25 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.35 -46.62 72.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.445 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 4.0 t80 -37.79 -34.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.7 t -45.24 119.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 59.91 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -169.01 74.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.247 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 179.06 134.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -169.3 63.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.62 98.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.06 -56.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.93 110.4 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 137.91 151.43 5.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.91 157.24 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.502 0.191 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.76 165.71 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.93 -62.14 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 57.95 162.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.85 115.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -104.69 -54.71 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 64.45 105.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.025 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.406 ' C ' HG22 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -140.17 -68.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 108.006 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.406 HG22 ' C ' ' A' ' 8' ' ' TRP . 16.2 m 40.54 68.34 2.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 18.2 Cg_endo -75.0 154.82 42.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.525 1.802 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.3 Cg_endo -74.99 138.07 22.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.6 109.98 5.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -174.45 112.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.63 71.46 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.33 144.96 43.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.1 m -67.65 -81.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.324 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 t -120.04 -70.15 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.92 171.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -53.31 -21.03 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -60.17 -69.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -46.18 90.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.7 -54.23 2.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -45.35 77.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.07 -66.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 m -39.49 106.41 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.69 -178.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.36 -168.13 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.56 166.04 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -165.03 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 34' ' ' GLY . 1.1 tt -100.09 -18.71 16.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -45.25 -49.37 32.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -75.07 -81.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' PRO . 14.0 pt -36.29 -38.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -66.55 -53.59 27.5 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.0 -50.21 37.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.75 -66.43 2.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.64 -19.44 6.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 11.1 t -74.16 -49.62 22.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -62.21 -34.23 76.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 88.0 t -74.47 -69.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 p -44.08 -43.23 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -67.31 -39.77 85.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -58.02 -41.55 83.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -70.57 -38.76 74.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -61.54 -46.57 89.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.5 mm -63.38 -57.0 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.78 -42.82 26.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -57.54 9.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.99 -57.25 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.05 127.37 31.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m 61.0 106.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -101.21 101.56 12.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 39.19 82.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 m -149.95 75.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.977 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 t -167.82 -47.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 57' ' ' MET . 2.1 mtpp 68.37 82.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.441 ' CB ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER 164.93 -34.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.99 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.11 117.57 5.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 59' ' ' ILE . 46.5 mm 65.66 61.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -100.73 -61.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.596 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.94 70.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 pt 40.56 55.2 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -125.98 65.27 1.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.562 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 m -159.54 128.61 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 -48.26 -57.68 5.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.26 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -48.45 -62.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -40.67 -62.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 71' ' ' CYS . . . -43.43 -63.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.764 ' O ' HG22 ' A' ' 73' ' ' VAL . 2.1 mt-30 -44.11 -66.91 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -43.56 -31.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -68.04 -50.88 52.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -65.86 -69.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 69' ' ' GLN . 14.2 m -47.31 -33.43 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.08 -35.12 64.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 72' ' ' ALA . . . -66.84 -53.11 35.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 0.766 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 77' ' ' MET . 0.9 OUTLIER -60.49 -51.92 67.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.446 ' N ' HG23 ' A' ' 76' ' ' ILE . 8.3 mtt -57.12 -67.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.1 tt -40.31 -64.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.4 -59.39 1.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' VAL . . . -52.71 -62.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 0.743 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' MET . 53.7 t -40.16 -67.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -39.06 -56.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -55.42 -38.39 68.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.458 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.02 -59.17 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -59.03 -24.62 62.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.7 m -79.42 -70.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -51.6 -27.24 10.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' VAL . 4.7 t80 -46.78 -37.45 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' TYR . 51.9 t -40.13 -79.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 tptt 42.68 55.65 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -141.32 -54.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 5.9 mtp -154.42 119.9 5.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -164.02 -71.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -173.72 -49.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 48.39 69.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.87 70.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -67.98 -66.4 2.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.133 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 59.39 113.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.446 0.165 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 m 61.23 160.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.032 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.3 83.24 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -149.09 96.58 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -140.64 93.09 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.08 101.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -152.7 63.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -116.91 -62.09 1.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.57 154.32 85.6 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 18.3 Cg_endo -75.04 155.69 42.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.453 1.765 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.2 Cg_endo -75.0 162.02 37.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -125.42 142.85 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -120.34 -43.77 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 59.24 54.9 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.15 173.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' SG ' HG22 ' A' ' 17' ' ' VAL . 7.5 p -109.39 -42.98 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.282 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.476 HG22 ' SG ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -143.71 -47.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.9 p 53.79 173.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -20.41 9.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 110.345 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HE2' HD22 ' A' ' 21' ' ' LEU . 2.4 tttt -62.95 -69.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.41 HD22 ' HE2' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -63.55 -30.11 71.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.89 -55.86 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -46.87 73.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -43.97 -58.51 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -39.01 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -56.94 -177.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.08 50.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.59 168.58 7.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.96 42.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' GLY . 4.7 tp -100.07 -19.8 16.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.531 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -49.87 -51.16 63.3 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -74.98 -73.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.4 mm -41.15 -33.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.09 -49.3 22.28 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -54.49 -53.68 51.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.757 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.16 -65.52 3.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.882 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -51.87 -19.83 5.54 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.9 m -78.51 -42.77 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.53 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 1.1 tp -66.47 -30.29 70.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.25 -63.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 37' ' ' GLY . 30.4 m -52.13 -42.27 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 38' ' ' CYS . . . -65.76 -41.08 92.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -55.63 -55.15 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -58.49 -39.17 79.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -57.27 -59.63 4.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -59.12 -28.83 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -59.44 -61.94 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -42.11 98.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.69 -66.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 8.9 mtp-105 -69.97 125.21 26.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -179.02 172.49 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.987 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.55 75.6 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.97 -107.76 0.33 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.72 -63.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.781 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 m -150.65 -63.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -81.55 84.43 6.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.41 ' HA ' ' CE ' ' A' ' 57' ' ' MET . 0.1 OUTLIER -110.32 168.36 9.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m 62.8 150.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.9 tp -90.88 137.47 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 40.85 59.47 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.639 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 tp -147.95 158.95 44.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.556 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 3.1 mt 69.33 143.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 62' ' ' ILE . 45.2 p-80 52.18 24.71 2.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.61 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -95.16 -75.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.77 -43.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.0 -60.27 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.34 79.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.64 -60.44 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.416 ' C ' ' N ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -53.7 -61.01 2.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.25 -25.0 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -74.77 -50.21 18.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 108.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.08 -60.16 3.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 76' ' ' ILE . 87.4 t -58.19 -58.44 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.97 -34.67 16.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 71' ' ' CYS . . . -66.54 -70.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 73' ' ' VAL . 2.0 tp -41.91 -45.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttt -59.5 -60.24 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 81' ' ' VAL . 3.6 tp -40.39 -56.2 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.674 ' O ' HG23 ' A' ' 83' ' ' THR . . . -54.54 -44.41 78.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.26 -64.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 78' ' ' LEU . 25.9 m -48.26 -28.99 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.472 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -66.33 -55.54 15.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 79' ' ' GLY . 40.0 p -58.05 -32.29 67.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -70.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -52.16 -28.53 18.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.805 ' O ' HG22 ' A' ' 89' ' ' VAL . 73.1 m -77.33 -64.83 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' TYR . 4.3 t70 -45.91 -25.91 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.417 ' N ' ' C ' ' A' ' 86' ' ' SER . 1.7 t80 -36.94 -38.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -40.69 -80.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.7 ' H ' HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER 80.04 57.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -140.02 -45.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.8 172.35 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.72 149.95 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 69.95 80.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -119.94 60.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 65.13 80.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.05 -124.29 1.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.66 152.99 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.75 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.52 0.2 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -155.76 83.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.88 -62.2 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t30 62.17 110.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -139.6 -67.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 44.38 79.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.298 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.0 m0 54.3 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 107.989 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 71.82 93.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.7 p -172.56 65.59 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.53 3.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.17 4.03 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.34 164.11 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.7 -57.93 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -166.73 104.69 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.87 137.78 35.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 m -52.37 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.503 HG13 ' H ' ' A' ' 18' ' ' SER . 3.0 p -141.26 -55.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.503 ' H ' HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER 51.37 -176.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.03 -21.13 66.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.253 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.76 -68.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CB ' HG23 ' A' ' 17' ' ' VAL . 3.8 mm? -62.14 -40.54 96.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 22' ' ' LEU . 1.3 tm? -48.56 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -41.05 61.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 -62.17 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m -135.65 130.45 34.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -179.4 164.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 66.45 174.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.75 165.27 0.13 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.515 ' O ' HD12 ' A' ' 33' ' ' ILE . 18.5 Cg_endo -74.99 135.83 19.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.99 -20.61 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.527 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.47 -51.44 69.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.2 Cg_endo -74.98 -57.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 29' ' ' PRO . 81.6 mt -47.66 -53.62 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.03 -42.35 98.22 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.95 -53.73 30.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 38' ' ' CYS . . . -70.8 -64.79 2.69 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -40.94 -28.45 0.23 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' N ' ' C ' ' A' ' 36' ' ' GLY . 49.8 t -79.68 -56.38 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.4 tp -42.05 -48.28 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.542 HG23 ' N ' ' A' ' 41' ' ' VAL . 32.2 m -68.55 -53.78 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 37' ' ' GLY . 3.0 t -43.46 -70.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -47.47 -56.64 6.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -43.68 77.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -58.59 -56.46 21.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.58 -55.72 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -52.13 -38.04 56.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -62.13 -47.38 84.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.118 . . . . 0.0 110.27 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.65 -61.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -60.55 172.58 0.86 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.512 ' HB2' HG21 ' A' ' 55' ' ' THR . 95.7 p 50.22 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.437 HH12 HG23 ' A' ' 59' ' ' ILE . 2.8 mtp85 -125.75 78.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.19 81.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.43 103.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.039 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.512 HG21 ' HB2' ' A' ' 51' ' ' SER . 2.7 t -170.2 34.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.4 tttp 59.62 40.51 20.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 59' ' ' ILE . 32.4 tpp -161.47 64.96 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.77 76.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 59' ' ' ILE . 7.8 tp -107.08 73.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -44.34 -55.13 5.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -175.52 -46.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 64' ' ' THR . 4.3 tp -140.1 -47.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -43.96 104.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 62' ' ' ILE . 10.1 t -173.46 168.27 4.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 6.2 mtm180 -126.81 -66.6 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 67' ' ' ALA . 12.6 p -56.13 -52.73 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.529 ' N ' HG13 ' A' ' 66' ' ' VAL . . . -60.28 -30.6 69.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 65' ' ' ARG . . . -65.52 -45.43 83.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.39 -41.6 98.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.63 -26.3 63.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.83 -53.59 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -60.11 -54.38 46.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.67 -49.14 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -61.89 -24.87 65.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -71.47 -58.03 3.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 0.784 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 77' ' ' MET . 45.2 pt -58.84 -44.68 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' ILE . 11.4 mtt -66.48 -32.08 73.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.624 ' O ' HG12 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -68.23 -64.62 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 83' ' ' THR . . . -49.94 -40.9 35.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.22 -63.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 78' ' ' LEU . 9.0 p -56.16 -19.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.496 ' O ' ' CB ' ' A' ' 86' ' ' SER . 1.1 t80 -71.48 -60.79 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 79' ' ' GLY . 30.5 p -62.47 -28.1 69.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.082 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -67.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -62.88 -23.67 67.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.783 ' O ' HG22 ' A' ' 89' ' ' VAL . 28.5 t -73.37 -69.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.21 -34.38 56.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -45.69 -26.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 86' ' ' SER . 27.2 m -51.7 146.2 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.49 59.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.0 -50.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.7 tpp -103.2 120.62 41.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -164.05 -63.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -94.4 70.67 3.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 49.48 69.36 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 63.43 155.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -142.66 -90.08 0.13 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 65.07 119.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.8 pttm . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.496 0.189 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' ALA . 1.1 t -162.4 81.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . . . 40.49 89.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -140.73 107.35 5.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.97 161.99 20.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.36 130.7 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.87 120.85 24.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 72.9 m95 64.36 104.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 108.018 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 9' ' ' VAL . 21.7 m -120.57 91.69 47.13 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 18.2 Cg_endo -75.06 142.03 27.17 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.4 Cg_endo -74.96 75.46 3.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 t0 54.93 103.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.59 -51.73 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -84.73 69.82 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.99 110.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.8 m -59.79 -82.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 108.31 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 18' ' ' SER . 34.6 m -133.96 -53.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.511 ' N ' HG23 ' A' ' 17' ' ' VAL . 3.9 t 47.9 -174.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.039 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.8 -22.91 65.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -57.31 -68.05 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.879 ' O ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER -61.67 -44.74 96.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -48.16 -42.36 29.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -76.16 -35.43 59.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -57.99 -69.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -41.05 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.387 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.649 ' H ' HG23 ' A' ' 25' ' ' THR . 0.6 OUTLIER 38.81 84.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -174.41 -150.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -48.28 174.31 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.03 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.675 HD13 ' HG2' ' A' ' 84' ' ' MET . 0.3 OUTLIER -91.77 -19.78 22.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -42.56 -51.18 11.93 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.99 -64.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 32' ' ' PRO . 67.1 mt -39.93 -51.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.6 -54.46 35.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.1 tp -45.32 -60.23 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.72 -63.15 4.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.6 -19.75 6.8 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -56.66 4.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -53.75 -38.91 64.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.5 t -68.35 -66.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 t -44.2 -66.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.08 -58.06 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -45.26 -68.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -41.39 -31.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.0 mt -50.82 -52.02 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -55.14 -59.37 4.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.41 ' HA ' ' NH1' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -40.01 -55.27 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -61.84 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 53.28 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' LEU . 74.6 m -109.87 134.75 51.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' CD ' ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -68.2 137.15 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' N ' ' CD ' ' A' ' 52' ' ' ARG . . . 160.19 173.52 28.83 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.95 141.95 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.1 p 40.69 60.1 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -168.54 -60.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -115.5 179.94 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.879 ' C ' HD13 ' A' ' 59' ' ' ILE . 1.0 OUTLIER 61.85 59.94 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.879 HD13 ' C ' ' A' ' 58' ' ' SER . 0.2 OUTLIER 39.01 70.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.568 ' O ' ' CD2' ' A' ' 60' ' ' HIS . 15.8 p-80 -39.85 108.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.583 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.565 HD12 HG21 ' A' ' 64' ' ' THR . 0.1 OUTLIER -172.96 -63.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 61' ' ' LEU . 5.5 pt 49.65 -179.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 46.8 40.75 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.614 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.565 HG21 HD12 ' A' ' 61' ' ' LEU . 14.9 t -173.69 166.14 4.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.06 -162.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ALA . 59.4 t -41.4 -51.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' VAL . . . -40.23 -66.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.564 ' HB2' ' N ' ' A' ' 64' ' ' THR . . . -46.88 -54.04 10.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.613 ' O ' HG22 ' A' ' 73' ' ' VAL . 12.5 tt0 -45.56 -67.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 73' ' ' VAL . . . -51.97 -22.46 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -72.11 -50.36 28.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.301 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.5 -66.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 69' ' ' GLN . 27.6 m -53.79 -34.08 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.04 -69.15 1.36 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -45.94 -55.07 7.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 29.9 mt -43.14 -70.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.2 mmt -53.51 -19.95 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.469 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -66.88 -65.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.739 ' O ' HG23 ' A' ' 83' ' ' THR . . . -58.24 -38.53 90.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' O ' ' OG1' ' A' ' 83' ' ' THR . . . -59.93 -69.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 0.771 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' TYR . 21.9 t -49.25 -57.95 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 81' ' ' VAL . 30.1 t80 -37.51 -65.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 79' ' ' GLY . 66.5 p -54.17 -49.24 69.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.675 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -49.37 -70.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.481 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 4.2 t80 -53.75 -59.63 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 89' ' ' VAL . 72.2 m -39.11 -65.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' VAL . 4.7 t0 -50.48 -50.16 53.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.481 ' CB ' ' O ' ' A' ' 85' ' ' TYR . 2.1 t80 -37.5 -33.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 86' ' ' SER . 63.7 t -46.78 132.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 58.0 4.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.02 81.34 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -173.49 174.08 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -131.14 148.68 52.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -83.22 51.42 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -53.42 6.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 66.57 71.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.69 -150.35 18.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 52.01 101.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.498 0.19 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.08 108.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -168.37 -59.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.456 ' C ' ' CD ' ' A' ' 5' ' ' ARG . 16.5 m120 62.44 93.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.456 ' CD ' ' C ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER 40.86 -162.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 175.3 124.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -166.77 136.42 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -161.59 148.44 14.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 108.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.0 t -143.46 92.02 6.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 18.3 Cg_endo -75.02 152.44 40.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.2 Cg_endo -75.01 -174.75 2.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.66 98.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -109.09 169.75 8.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.63 90.11 7.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.44 168.54 16.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.6 p -113.95 -40.53 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 108.32 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 18' ' ' SER . 27.2 m -124.9 -51.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.485 ' N ' HG23 ' A' ' 17' ' ' VAL . 2.5 t 51.99 175.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.029 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.01 -20.94 66.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -60.21 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.09 -49.06 75.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -66.27 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -50.98 -39.04 54.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.324 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -53.94 35.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 m -149.98 123.86 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' NE ' ' H ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -170.2 173.54 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' H ' ' NE ' ' A' ' 26' ' ' ARG . 3.7 mt-10 65.95 168.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.49 171.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.65 43.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' GLY . 5.2 tt -100.09 -19.36 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.68 -48.92 58.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -74.95 -80.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.5 1.79 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' PRO . 43.8 pt -38.37 -44.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -65.38 -46.83 84.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' PRO . 10.5 tp -50.6 -56.84 9.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.25 -63.84 4.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.648 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -48.8 -22.3 2.77 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.9 t -78.11 -61.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.5 -53.12 3.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.828 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.5 p -61.26 -54.54 33.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 37' ' ' GLY . 2.3 t -44.54 -70.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -45.25 -38.96 5.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.828 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -50.13 -61.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -54.38 -45.24 72.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.0 mt -44.03 -61.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -38.25 -59.32 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -56.72 13.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tt -42.89 -54.59 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.0 151.83 40.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -178.49 72.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.965 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.36 146.51 28.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.43 -86.99 0.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.05 152.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 m -112.05 -54.46 2.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -137.96 -63.29 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -115.38 -34.82 4.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.4 p -171.44 157.45 4.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -116.64 -46.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -54.85 12.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.9 mt -79.47 129.14 34.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.8 mm -134.49 99.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 48.05 50.96 15.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.588 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.563 HG23 ' HB2' ' A' ' 67' ' ' ALA . 4.5 t -84.48 146.89 27.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.459 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.2 ptt-85 -90.85 -38.14 13.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -21.78 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.563 ' HB2' HG23 ' A' ' 64' ' ' THR . . . -73.22 -68.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.55 -35.46 13.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -64.81 -63.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.35 -20.09 10.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -69.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 108.233 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.573 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . -55.99 -57.71 10.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.5 t -52.4 -56.21 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.14 -26.18 34.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.586 1.179 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 72' ' ' ALA . . . -71.12 -59.09 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.4 pt -58.99 -29.21 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.592 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -72.64 -47.12 50.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.57 -42.21 98.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.64 -58.05 15.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.81 -38.74 76.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 77' ' ' MET . 3.3 t -58.48 -67.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.443 ' O ' ' CB ' ' A' ' 86' ' ' SER . 1.1 t80 -51.95 -36.94 51.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -55.08 -58.1 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -66.71 0.53 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -37.8 -51.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.581 ' O ' HG12 ' A' ' 89' ' ' VAL . 9.0 t -68.14 -47.67 67.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' SER . 0.3 OUTLIER -40.42 -44.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -37.77 -55.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 86' ' ' SER . 9.7 p -80.03 140.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -128.81 -79.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -154.32 36.98 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.066 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.642 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -153.62 164.78 37.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 92' ' ' MET . . . 79.66 61.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 58.53 70.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -144.43 -55.09 0.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.38 105.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.71 -157.43 32.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.82 136.66 51.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.779 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.35 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.483 0.182 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m 62.14 113.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.997 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 52.1 90.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.81 154.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.28 102.54 4.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.4 122.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -62.09 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.81 114.2 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 107.978 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.687 HG23 ' HD2' ' A' ' 10' ' ' PRO . 2.5 p -121.85 142.85 37.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -74.93 154.88 43.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.4 Cg_endo -74.99 158.65 42.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.793 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -125.12 113.74 18.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.68 148.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -109.48 84.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.75 120.61 28.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' C ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -57.23 -57.86 10.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.63 HG13 ' HB3' ' A' ' 21' ' ' LEU . 90.5 t -151.19 -77.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.56 170.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.7 -27.51 7.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -67.39 0.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.63 ' HB3' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -58.77 -42.81 89.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -39.64 41.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.13 -38.56 35.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -53.0 -44.28 67.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.3 m -44.32 -94.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.4 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' SER . 4.7 tp10 -174.32 -60.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 110.332 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -44.56 168.31 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' O ' HD12 ' A' ' 33' ' ' ILE . 18.4 Cg_endo -74.97 -174.6 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.759 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD21 HG12 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -93.99 -19.62 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -44.98 -50.24 26.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -75.03 -69.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 29' ' ' PRO . 15.7 mt -39.42 -36.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -72.01 -49.62 21.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -47.45 -46.68 26.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.16 -59.78 7.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.684 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -51.51 -20.25 5.26 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.21 -57.66 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -45.32 -45.16 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 41' ' ' VAL . 14.0 p -70.22 -46.93 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 37' ' ' GLY . 2.3 t -51.94 -70.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.535 ' N ' HG12 ' A' ' 41' ' ' VAL . . . -48.55 -49.49 36.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -41.88 -56.64 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.22 -53.89 46.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.31 -60.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.6 mm -55.39 -56.63 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.8 -56.39 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -57.89 -47.2 83.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.42 -65.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -89.8 112.93 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.6 56.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.51 130.29 42.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.14 -66.16 0.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.82 -51.79 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.965 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m 57.54 51.08 10.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.59 101.29 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.475 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.0 OUTLIER 70.5 -58.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 57' ' ' MET . 0.4 OUTLIER 83.94 -55.84 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.983 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.75 137.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -75.08 -24.55 58.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.626 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.9 mp -51.17 -52.34 45.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 62' ' ' ILE . 46.1 mt 53.28 76.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 0.6 OUTLIER 58.8 108.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.55 -53.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 1.3 ttp180 -155.36 -55.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 67' ' ' ALA . 34.5 m -62.18 -53.79 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.538 ' N ' HG23 ' A' ' 66' ' ' VAL . . . -77.77 -57.24 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.72 -42.71 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 19.3 tt0 -73.33 -60.01 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.32 -33.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 42.5 t -77.56 -52.46 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' GLN . . . -50.48 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 74' ' ' GLY . 17.9 m -59.81 -49.14 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' LEU . . . -39.59 -52.49 3.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.99 -57.37 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.2 mt -40.72 -70.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -54.78 32.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 74' ' ' GLY . 2.2 tp -40.24 -39.95 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.35 -52.58 8.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.79 -53.66 11.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 0.778 . . . . 0.0 109.373 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 82' ' ' TYR . 34.4 m -60.83 -50.8 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 86' ' ' SER . 0.2 OUTLIER -39.32 -54.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.5 m -67.59 -37.58 82.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -69.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -57.38 -38.37 74.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 82' ' ' TYR . 15.0 t -55.86 -61.22 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -34.07 72.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -49.67 -21.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 86' ' ' SER . 9.8 p -56.05 137.17 17.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -85.45 58.43 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.52 73.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -169.77 143.7 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -155.13 60.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 65.89 84.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.48 -56.42 21.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.55 -62.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.23 127.45 37.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.59 166.32 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 110.263 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.473 0.178 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.95 -65.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.61 161.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.7 t30 179.1 95.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.01 122.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.49 90.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.243 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.547 ' CG ' ' O ' ' A' ' 7' ' ' TRP . 36.5 t90 -145.68 41.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.028 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.725 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.3 p-90 -160.1 170.03 22.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 8' ' ' TRP . 0.9 OUTLIER 162.87 -51.64 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.07 148.66 35.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 10' ' ' PRO . 18.3 Cg_endo -75.0 -68.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.01 179.91 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.91 -55.07 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -154.34 -59.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 59.87 55.58 3.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.6 m 60.98 -99.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.318 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.6 -46.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.99 174.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.64 -24.44 14.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -65.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.4 -45.76 78.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -53.27 3.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -72.02 -40.34 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.69 -49.42 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.37 122.02 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.87 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -178.33 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.4 167.71 8.86 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 171.78 17.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.94 -19.91 18.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.517 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -43.37 -50.9 15.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.04 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 33' ' ' ILE . 25.4 mm -40.29 -38.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.7 -50.24 15.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.46 -56.86 6.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 0.796 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 38' ' ' CYS . . . -62.83 -65.42 3.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.816 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -41.34 -27.46 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 39' ' ' LEU . 8.8 t -76.01 -61.64 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -40.06 -40.88 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.2 t -70.27 -51.57 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 37' ' ' GLY . 41.4 t -53.07 -70.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.83 -48.67 15.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -46.8 -52.98 12.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -66.82 -31.02 71.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -60.67 -60.34 3.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.45 -52.65 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -44.74 -52.88 7.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -55.24 37.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.4 tt -41.33 -54.25 3.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.824 HH12 HH21 ' A' ' 52' ' ' ARG . 0.1 OUTLIER -76.53 129.09 35.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.64 164.09 13.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.824 HH21 HH12 ' A' ' 50' ' ' ARG . 3.1 mmp_? -138.82 -66.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.06 177.6 40.46 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.454 1.096 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.9 m -134.84 141.42 46.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -95.79 -42.84 8.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -166.67 94.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.76 49.67 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.4 p 66.91 -179.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.3 mt 62.41 152.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -175.92 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.627 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.646 HD23 HG12 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -43.56 -74.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.646 HG12 HD23 ' A' ' 61' ' ' LEU . 30.3 mm -111.27 158.41 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.431 ' C ' HG23 ' A' ' 64' ' ' THR . 2.4 m80 -106.57 68.02 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.6 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.431 HG23 ' C ' ' A' ' 63' ' ' HIS . 41.9 p -151.87 -168.25 3.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.666 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 39.7 mtt180 -90.04 54.89 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.66 -63.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.74 96.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 65' ' ' ARG . . . -49.69 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.403 ' C ' ' N ' ' A' ' 71' ' ' CYS . 37.4 mt-30 -48.2 -64.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . -40.46 -32.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.403 ' N ' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -69.64 -63.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 108.294 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.98 -70.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -46.53 -57.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.99 -51.36 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.02 95.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.2 mt -54.46 -66.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.628 ' O ' HG23 ' A' ' 81' ' ' VAL . 20.2 ptm -54.89 -31.62 60.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 78' ' ' LEU . 1.7 tm? -60.72 -57.42 12.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.14 -55.18 31.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.9 -68.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 77' ' ' MET . 83.5 t -45.05 -61.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 78' ' ' LEU . 35.0 t80 -38.19 -55.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 m -54.36 -41.35 69.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.378 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -67.66 -70.07 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -44.36 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.412 ' O ' HG12 ' A' ' 89' ' ' VAL . 1.2 m -65.04 -60.37 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -44.4 -38.31 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -40.42 -44.86 2.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 86' ' ' SER . 5.0 p -42.36 124.16 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt 64.93 -80.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.45 -66.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 72.35 120.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.31 -54.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.95 45.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -126.51 -47.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.76 138.29 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.12 -142.5 0.12 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 42.87 80.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.546 0.213 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.62 166.08 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.041 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.73 170.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.11 111.87 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.08 168.14 9.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 58.28 159.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 50.0 t-105 -160.26 122.76 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 108.014 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -50.84 142.62 11.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 107.993 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.3 154.06 88.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 151.25 39.54 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 150.54 38.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.23 -76.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -171.42 -66.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -169.87 85.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.314 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.63 150.78 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.465 ' O ' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -88.57 -61.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 108.296 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.666 HG13 HD22 ' A' ' 21' ' ' LEU . 62.2 t -129.92 -65.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.92 174.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -24.4 66.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -63.68 -66.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.666 HD22 HG13 ' A' ' 17' ' ' VAL . 1.9 tt -53.97 -47.48 71.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -44.31 -60.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -42.8 68.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -43.33 64.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 m -64.19 151.1 44.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -170.06 84.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 43.56 -162.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.25 135.99 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' HD12 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -75.03 -171.37 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' GLY . 3.0 mm? -100.06 -19.04 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.548 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -46.03 -49.56 39.52 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -74.99 -79.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 29' ' ' PRO . 3.5 mt -37.89 -32.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 30' ' ' LEU . . . -70.25 -53.39 13.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -51.05 -41.65 60.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.06 -69.45 1.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.88 -19.87 5.59 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.72 -69.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 tt -41.77 -37.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.47 -62.2 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 t -49.19 -66.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.56 -59.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.654 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -40.86 -59.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.74 -48.73 66.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -56.9 10.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.654 HG22 ' O ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -60.63 -29.85 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.57 -47.17 82.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -72.23 -46.62 55.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -66.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.54 172.33 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.15 172.26 16.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.64 -55.4 2.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.53 77.66 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.135 . . . . 0.0 111.047 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.76 -59.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.995 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 58' ' ' SER . 22.5 m -52.66 -39.61 62.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt 55.43 41.61 30.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.1 mtm 56.67 54.99 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.603 ' H ' HG22 ' A' ' 55' ' ' THR . 1.3 m 61.68 -177.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.959 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 tp -79.86 -26.03 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -110.35 -65.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.83 -74.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.564 HD13 ' C ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -167.27 129.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -176.4 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.603 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.5 p 39.66 -149.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.29 -42.02 2.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.02 -54.85 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.73 -30.79 71.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.95 66.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' HG12 ' A' ' 73' ' ' VAL . 6.1 mm100 -59.39 -42.62 92.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HA ' HG12 ' A' ' 73' ' ' VAL . . . -68.11 -27.19 66.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.98 -40.64 71.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.96 -69.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 69' ' ' GLN . 9.7 p -52.42 -30.26 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.89 -49.81 39.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.95 76.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.7 mt -70.41 -69.58 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.719 ' O ' HG23 ' A' ' 81' ' ' VAL . 2.4 tpt -41.61 -60.78 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.7 -59.77 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.44 -63.65 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.95 -55.19 21.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 77' ' ' MET . 72.7 t -43.96 -69.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -37.51 -55.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -49.11 -46.84 45.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' ASP . 3.8 mtt -68.71 -69.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -37.72 -37.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 m -78.91 -45.89 19.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' MET . 0.2 OUTLIER -54.18 -32.4 55.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -37.03 -32.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 87' ' ' ASP . 9.4 p -59.63 123.43 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -41.37 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.94 52.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 59.46 120.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -149.72 -56.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -149.33 78.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.334 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -143.3 -55.29 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.342 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.51 -64.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.37 135.94 12.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -86.91 116.41 24.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 110.274 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.48 0.181 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 m -149.65 119.63 7.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.21 120.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.08 160.54 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.58 107.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.64 91.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -165.08 66.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.48 129.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 9' ' ' VAL . 35.9 m -124.53 75.79 62.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.48 3.8 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.35 18.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.479 1.779 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.21 -53.76 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.78 -56.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.56 -57.44 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.02 93.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.66 -65.05 0.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 108.312 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.528 HG12 ' N ' ' A' ' 18' ' ' SER . 7.8 t -95.35 -79.14 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.528 ' N ' HG12 ' A' ' 17' ' ' VAL . 1.0 OUTLIER 60.44 177.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.049 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.86 -25.73 43.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -56.02 -59.72 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.42 -50.92 65.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.51 -40.81 1.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -50.73 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -30.05 2.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -38.87 148.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.37 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.18 -167.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -135.0 62.75 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.48 168.6 8.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.424 ' HB2' ' CD ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -75.03 139.27 24.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.64 ' HA ' HG22 ' A' ' 33' ' ' ILE . 1.1 pp -99.43 -19.98 16.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.29 -49.83 79.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 31' ' ' VAL . 18.4 Cg_endo -75.01 -52.29 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.64 HG22 ' HA ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -49.75 -41.59 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.63 -56.79 8.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.3 -62.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.17 -62.39 5.08 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.747 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -50.03 -21.91 4.26 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -62.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 8.0 mp -45.41 -37.69 5.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.5 -62.32 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 37' ' ' GLY . 70.6 t -49.27 -70.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.51 -58.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 39' ' ' LEU . . . -41.59 -60.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -52.11 45.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -48.61 -60.05 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' LEU . 35.9 mm -52.87 -64.59 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.93 -41.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -67.48 -46.94 71.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' ILE . 3.0 tt -63.77 -70.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.29 161.03 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.95 150.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -121.7 -42.0 2.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.55 -155.08 28.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.449 ' C ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER 61.99 137.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.987 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.449 HG22 ' C ' ' A' ' 54' ' ' SER . 1.3 t 41.44 71.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.392 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt 65.91 145.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.0 ttm -118.25 -56.03 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.4 m 61.42 147.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.61 HG23 ' CD2' ' A' ' 60' ' ' HIS . 9.4 tt -83.29 -23.67 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.61 ' CD2' HG23 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -179.85 51.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.602 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.58 141.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.7 mt -128.69 -72.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.439 ' CD2' ' H ' ' A' ' 64' ' ' THR . 1.7 p80 -147.85 -55.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.609 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 65' ' ' ARG . 3.6 m 47.65 -166.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.379 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.678 ' H ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -136.64 -45.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 67' ' ' ALA . 4.0 p -70.22 -48.02 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.448 ' N ' ' CG1' ' A' ' 66' ' ' VAL . . . -64.22 -40.48 96.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.41 58.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -42.33 89.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.43 -26.86 68.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -55.46 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.37 -65.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.2 t -50.52 -61.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.14 -56.12 4.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.09 -69.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.9 mt -40.72 -69.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.48 -37.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -69.65 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.74 -49.13 1.9 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.95 -68.09 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' MET . 9.2 t -41.02 -69.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.0 -55.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.2 m -49.45 -42.36 42.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -72.88 -68.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 8.5 t80 -37.43 -47.56 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.098 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.842 ' O ' HG12 ' A' ' 89' ' ' VAL . 0.1 OUTLIER -69.61 -55.61 9.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.964 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 88' ' ' TYR . 10.6 t0 -41.61 -28.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.447 ' N ' ' C ' ' A' ' 86' ' ' SER . 90.7 t80 -36.58 -38.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.842 HG12 ' O ' ' A' ' 86' ' ' SER . 0.5 OUTLIER -41.1 -82.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.696 ' H ' HG13 ' A' ' 89' ' ' VAL . 7.7 tttp 79.97 59.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.19 21.59 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.19 176.04 10.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -176.82 62.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -63.87 -42.47 97.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.71 69.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 56.99 79.06 0.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -54.25 -75.73 0.22 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.26 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.797 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.986 . . . . . . . . 0 0 . 1 stop_ save_